data_1wco_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 1wco _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 ' N' N ' 6' ' ' LEU . . . . . 0.542 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.948 -0.76 . . . . 2.21 108.948 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.26 -0.882 . . . . 1.14 112.577 -178.56 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.542 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 5.4 Cg_endo . . . . . 0 CA--C 1.511 -0.652 0 N-CA-C 110.19 -0.735 . . . . 1.37 110.19 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.93 -13.33 69.54 Favored Glycine 0 N--CA 1.433 -1.525 0 CA-C-N 115.062 -0.972 . . . . 1.51 111.933 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.38 -28.55 68.73 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.166 0.508 . . . . 2.08 111.429 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.315 -0.896 0 CA-C-N 115.855 -0.612 . . . . 3.55 112.156 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.101 0 N-CA-C 115.29 0.876 . . . . 2.82 115.29 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.32 -6.64 3.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.391 0.676 . . . . 3.83 111.814 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 1.5 mt . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 115.179 -0.919 . . . . 3.51 109.717 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.0 mp . . . . . 0 N--CA 1.444 -0.762 0 N-CA-C 109.101 -0.703 . . . . 2.21 109.101 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.228 -0.896 . . . . 1.14 111.927 -178.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.526 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 1.2 Cg_endo . . . . . 0 CA--C 1.512 -0.586 0 CA-C-O 121.921 0.717 . . . . 1.37 110.427 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.5 -12.86 81.28 Favored Glycine 0 N--CA 1.431 -1.641 0 CA-C-N 114.406 -1.27 . . . . 1.51 112.727 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 75.8 m -58.36 -39.33 79.27 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.101 0.477 . . . . 2.08 111.726 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.311 -1.095 0 CA-C-N 115.419 -0.809 . . . . 3.55 111.138 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.169 0 N-CA-C 113.499 0.16 . . . . 2.82 113.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -1.94 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.652 0.739 . . . . 3.83 110.944 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.312 -1.025 0 CA-C-N 114.704 -1.135 . . . . 3.51 110.223 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.689 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 108.381 -0.97 . . . . 2.21 108.381 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.986 -0.552 . . . . 1.14 112.251 -178.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.689 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 5.5 Cg_exo . . . . . 0 CA--C 1.508 -0.806 0 N-CA-C 109.574 -0.972 . . . . 1.37 109.574 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -12.98 70.46 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 114.036 -1.438 . . . . 1.51 112.447 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 56.6 m -69.16 -26.23 64.76 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.442 0.639 . . . . 2.08 110.412 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt . . . . . 0 C--N 1.315 -0.928 0 CA-C-N 114.834 -1.076 . . . . 3.55 110.592 179.583 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.502 0 N-CA-C 114.392 0.517 . . . . 2.82 114.392 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.46 -15.94 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.444 0.64 . . . . 3.83 110.647 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 5.0 mt . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 114.92 -1.036 . . . . 3.51 111.059 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.643 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.6 OUTLIER . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 108.889 -0.782 . . . . 2.21 108.889 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 1.14 112.566 -178.829 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.643 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.6 Cg_endo . . . . . 0 CA--C 1.511 -0.648 0 CA-C-O 121.802 0.668 . . . . 1.37 110.378 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.11 -10.74 77.65 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 114.76 -1.109 . . . . 1.51 111.431 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.99 -37.73 81.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.156 0.503 . . . . 2.08 111.865 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.432 ' HA ' HD13 ' N' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 115.876 -0.602 . . . . 3.55 111.264 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.398 0 N-CA-C 114.748 0.659 . . . . 2.82 114.748 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.31 -15.56 57.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.383 0.611 . . . . 3.83 111.37 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' N' ' 12' ' ' LYS . 2.9 mt . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.139 -0.937 . . . . 3.51 110.897 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.445 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.539 0 N-CA-C 109.983 -0.377 . . . . 2.21 109.983 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 113.01 0.745 . . . . 1.14 113.01 -177.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.445 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 4.8 Cg_exo . . . . . 0 CA--C 1.507 -0.866 0 N-CA-C 109.213 -1.111 . . . . 1.37 109.213 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.11 -17.19 67.65 Favored Glycine 0 N--CA 1.431 -1.636 0 CA-C-N 113.749 -1.569 . . . . 1.51 112.153 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 58.9 m -65.96 -28.47 68.93 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.926 0.87 . . . . 2.08 110.448 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.31 -1.143 0 CA-C-N 114.28 -1.327 . . . . 3.55 109.119 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.871 0 N-CA-C 115.267 0.867 . . . . 2.82 115.267 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.07 -2.31 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.513 0.673 . . . . 3.83 110.611 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.129 -0.941 . . . . 3.51 109.125 179.614 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.627 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.9 mp . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 108.192 -1.04 . . . . 2.21 108.192 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 114.43 -1.259 . . . . 1.14 113.103 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.627 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.0 Cg_endo . . . . . 0 CA--C 1.512 -0.577 0 CA-C-O 121.968 0.737 . . . . 1.37 110.491 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.42 -14.35 81.55 Favored Glycine 0 N--CA 1.434 -1.495 0 CA-C-N 114.386 -1.279 . . . . 1.51 111.749 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 38.0 m -68.78 -37.46 79.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.269 0.557 . . . . 2.08 111.152 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' N' ' 14' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.311 -1.106 0 CA-C-N 115.381 -0.827 . . . . 3.55 110.177 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' N' ' 12' ' ' LYS . . . . . . . . 0 N--CA 1.44 -1.057 0 N-CA-C 113.647 0.219 . . . . 2.82 113.647 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.17 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 3.83 111.522 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 115.307 -0.861 . . . . 3.51 109.769 178.798 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.609 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 108.857 -0.794 . . . . 2.21 108.857 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 114.182 1.179 . . . . 1.14 114.182 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.609 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo . . . . . 0 CA--C 1.517 -0.345 0 N-CA-C 110.386 -0.659 . . . . 1.37 110.386 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.4 -15.08 80.44 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.655 -1.157 . . . . 1.51 111.86 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 m -66.49 -26.13 67.03 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.462 0.648 . . . . 2.08 110.351 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.648 ' HA ' HD13 ' N' ' 16' ' ' LEU . 4.1 mmmt . . . . . 0 C--N 1.31 -1.111 0 CA-C-N 114.518 -1.219 . . . . 3.55 109.382 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.038 0 CA-C-O 120.3 -0.166 . . . . 2.82 112.839 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.25 -3.71 28.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.343 0.592 . . . . 3.83 110.593 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' N' ' 12' ' ' LYS . 4.4 mt . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 3.51 109.699 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.523 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.295 -0.631 . . . . 2.21 109.295 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.577 -0.738 . . . . 1.14 112.467 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.523 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 5.5 Cg_endo . . . . . 0 CA--C 1.508 -0.806 0 N-CA-C 110.82 -0.492 . . . . 1.37 110.82 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.71 -24.24 66.12 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.727 -1.124 . . . . 1.51 111.969 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -70.1 -20.37 63.2 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.599 0.714 . . . . 2.08 110.388 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.445 ' HA ' HD13 ' N' ' 16' ' ' LEU . 1.5 mmmt . . . . . 0 C--N 1.317 -0.821 0 CA-C-N 114.712 -1.131 . . . . 3.55 109.124 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.443 -0.877 0 N-CA-C 113.98 0.352 . . . . 2.82 113.98 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.02 21.81 0.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.993 0.901 . . . . 3.83 110.02 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.315 -0.903 0 CA-C-N 114.338 -1.301 . . . . 3.51 109.169 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.66 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.051 -0.722 . . . . 2.21 109.051 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.875 -0.602 . . . . 1.14 112.035 -179.242 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.66 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 6.3 Cg_exo . . . . . 0 CA--C 1.511 -0.67 0 N-CA-C 109.963 -0.822 . . . . 1.37 109.963 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.08 -14.51 76.32 Favored Glycine 0 N--CA 1.431 -1.633 0 CA-C-N 113.727 -1.579 . . . . 1.51 112.447 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . 0.449 ' O ' HD13 ' N' ' 16' ' ' LEU . 62.2 m -64.32 -32.03 73.47 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.706 0.765 . . . . 2.08 110.419 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' N' ' 14' ' ' GLY . 2.6 mmmt . . . . . 0 C--N 1.309 -1.193 0 CA-C-N 114.779 -1.101 . . . . 3.55 109.995 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' N' ' 12' ' ' LYS . . . . . . . . 0 N--CA 1.436 -1.366 0 N-CA-C 113.805 0.282 . . . . 2.82 113.805 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -10.21 48.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.329 0.585 . . . . 3.83 111.344 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.449 HD13 ' O ' ' N' ' 11' ' ' CYS . 3.1 mt . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.317 -0.856 . . . . 3.51 109.887 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.58 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.5 mp . . . . . 0 N--CA 1.439 -0.983 0 N-CA-C 108.797 -0.816 . . . . 2.21 108.797 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.319 -0.734 0 CA-C-N 115.642 -0.708 . . . . 1.14 112.839 -179.178 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 9.5 Cg_endo . . . . . 0 CA--C 1.515 -0.436 0 CA-C-O 121.607 0.586 . . . . 1.37 110.685 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.44 -6.76 87.28 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.238 -0.892 . . . . 1.51 111.749 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 20.4 m -78.82 -34.43 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 112.088 0.403 . . . . 2.08 112.088 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.774 ' HA ' HD13 ' N' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 116.212 -0.449 . . . . 3.55 111.411 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.205 0 N-CA-C 113.366 0.106 . . . . 2.82 113.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -0.01 12.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.68 0.753 . . . . 3.83 110.768 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.774 HD13 ' HA ' ' N' ' 12' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.317 -0.833 0 CA-C-N 114.586 -1.188 . . . . 3.51 110.29 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.575 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 108.593 -0.892 . . . . 2.21 108.593 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 23.8 m . . . . . 0 C--N 1.319 -0.737 0 N-CA-C 113.318 0.859 . . . . 1.14 113.318 -178.495 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.0 Cg_endo . . . . . 0 CA--C 1.51 -0.72 0 CA-C-O 121.42 0.508 . . . . 1.37 111.191 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.37 -23.23 71.69 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 114.292 -1.322 . . . . 1.51 112.487 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.26 -23.13 66.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.881 0.848 . . . . 2.08 110.348 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.521 ' HA ' HD13 ' N' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.668 0 CA-C-N 114.513 -1.222 . . . . 3.55 109.325 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . 0.562 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.439 -1.106 0 N-CA-C 114.532 0.573 . . . . 2.82 114.532 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.07 28.2 0.09 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.964 0.887 . . . . 3.83 110.661 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.562 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.009 0 CA-C-N 114.329 -1.305 . . . . 3.51 108.35 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.581 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.7 mp . . . . . 0 N--CA 1.442 -0.834 0 N-CA-C 109.128 -0.693 . . . . 2.21 109.128 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 29.0 m . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.039 -0.982 . . . . 1.14 113.003 -178.569 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.581 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.4 Cg_endo . . . . . 0 CA--C 1.513 -0.553 0 N-CA-C 109.592 -0.965 . . . . 1.37 109.592 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.69 -22.07 73.31 Favored Glycine 0 N--CA 1.436 -1.315 0 CA-C-N 114.329 -1.305 . . . . 1.51 112.054 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 m -63.31 -28.48 70.04 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.414 0.626 . . . . 2.08 110.636 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.76 ' HA ' HD13 ' N' ' 16' ' ' LEU . 1.9 mmmm . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 114.962 -1.017 . . . . 3.55 109.629 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.103 0 N-CA-C 112.783 -0.127 . . . . 2.82 112.783 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.24 1.32 9.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.62 0.724 . . . . 3.83 110.683 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' N' ' 12' ' ' LYS . 1.3 mt . . . . . 0 C--N 1.318 -0.77 0 CA-C-N 115.097 -0.956 . . . . 3.51 110.412 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.494 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 6.3 mt . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 109.703 -0.48 . . . . 2.21 109.703 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.492 -0.776 . . . . 1.14 112.142 -178.562 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.494 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.51 -0.691 0 N-CA-C 109.77 -0.896 . . . . 1.37 109.77 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.96 -18.37 78.84 Favored Glycine 0 N--CA 1.429 -1.768 0 CA-C-N 114.042 -1.436 . . . . 1.51 112.078 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.2 m -61.27 -31.62 71.43 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.747 0.784 . . . . 2.08 111.227 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' N' ' 14' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.306 -1.297 0 CA-C-N 114.752 -1.113 . . . . 3.55 109.402 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' N' ' 12' ' ' LYS . . . . . . . . 0 CA--C 1.496 -1.117 0 N-CA-C 115.693 1.037 . . . . 2.82 115.693 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.95 -29.92 7.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.821 -1.19 . . . . 3.83 109.322 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 CA--C 1.506 -0.736 0 N-CA-C 107.801 -1.185 . . . . 3.51 107.801 177.272 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.621 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 2.6 mp . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.929 -0.767 . . . . 2.21 108.929 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.593 -1.185 . . . . 1.14 113.604 -178.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.621 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo . . . . . 0 CA--C 1.512 -0.603 0 N-CA-C 110.115 -0.764 . . . . 1.37 110.115 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.7 -26.21 74.63 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.896 -1.047 . . . . 1.51 111.154 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 m -62.56 -28.5 69.91 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.029 0.918 . . . . 2.08 109.939 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.626 ' HA ' HD13 ' N' ' 16' ' ' LEU . 1.2 mmmm . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 114.146 -1.388 . . . . 3.55 108.257 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . 0.572 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.432 -1.604 0 N-CA-C 115.041 0.777 . . . . 2.82 115.041 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.16 29.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.896 0.855 . . . . 3.83 111.04 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.626 HD13 ' HA ' ' N' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.31 -1.111 0 CA-C-N 114.138 -1.392 . . . . 3.51 107.924 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.592 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.4 mp . . . . . 0 N--CA 1.442 -0.845 0 N-CA-C 108.874 -0.788 . . . . 2.21 108.874 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.957 . . . . 1.14 112.141 -178.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.592 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 2.0 Cg_endo . . . . . 0 CA--C 1.511 -0.635 0 CA-C-O 122.077 0.782 . . . . 1.37 110.236 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.92 -15.67 81.44 Favored Glycine 0 N--CA 1.432 -1.6 0 CA-C-N 114.137 -1.392 . . . . 1.51 112.586 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 57.8 m -63.69 -23.06 67.22 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.904 0.859 . . . . 2.08 111.519 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' N' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.496 0 CA-C-N 114.612 -1.177 . . . . 3.55 109.864 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' N' ' 12' ' ' LYS . . . . . . . . 0 N--CA 1.441 -1.021 0 N-CA-C 114.559 0.584 . . . . 2.82 114.559 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.45 16.4 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.443 0.697 . . . . 3.83 111.427 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 1.6 mt . . . . . 0 C--N 1.316 -0.871 0 CA-C-N 114.953 -1.022 . . . . 3.51 109.495 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.567 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 1.2 mp . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 109.397 -0.594 . . . . 2.21 109.397 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 1.14 112.42 -178.887 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 2.7 Cg_endo . . . . . 0 CA--C 1.511 -0.635 0 N-CA-C 109.757 -0.901 . . . . 1.37 109.757 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.25 -26.22 72.52 Favored Glycine 0 N--CA 1.432 -1.632 0 CA-C-N 113.752 -1.567 . . . . 1.51 111.974 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 m -59.72 -27.75 66.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.537 0.684 . . . . 2.08 110.704 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' N' ' 16' ' ' LEU . 1.9 mmmt . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 114.865 -1.061 . . . . 3.55 109.393 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.467 0 CA-C-O 120.692 0.051 . . . . 2.82 113.159 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.27 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.184 0.516 . . . . 3.83 110.815 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' N' ' 12' ' ' LYS . 6.0 mt . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.868 . . . . 3.51 110.135 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.545 HD13 ' HG2' ' N' ' 9' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.651 0 N-CA-C 108.818 -0.808 . . . . 2.21 108.818 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.367 -0.833 . . . . 1.14 113.174 -178.643 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.545 ' HG2' HD13 ' N' ' 6' ' ' LEU . 6.9 Cg_endo . . . . . 0 CA--C 1.513 -0.532 0 N-CA-C 110.235 -0.717 . . . . 1.37 110.235 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.7 -15.58 68.96 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 114.479 -1.237 . . . . 1.51 112.517 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 32.0 m -66.94 -27.19 67.27 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.346 0.593 . . . . 2.08 110.89 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' N' ' 16' ' ' LEU . 1.2 mmmm . . . . . 0 C--N 1.313 -0.981 0 CA-C-N 115.095 -0.957 . . . . 3.55 109.948 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.436 -1.33 0 N-CA-C 114.553 0.581 . . . . 2.82 114.553 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.73 28.51 0.13 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.809 0.814 . . . . 3.83 110.616 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.313 -0.999 0 CA-C-N 114.57 -1.195 . . . . 3.51 108.699 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.507 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.4 mp . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 109.084 -0.71 . . . . 2.21 109.084 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.172 -0.922 . . . . 1.14 112.328 -178.762 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 4.2 Cg_exo . . . . . 0 CA--C 1.512 -0.592 0 CA-C-O 122.139 0.808 . . . . 1.37 110.434 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.8 -12.8 84.22 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 114.128 -1.396 . . . . 1.51 112.633 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.83 -23.35 66.03 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.33 0.586 . . . . 2.08 110.744 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.439 ' HA ' ' HB2' ' N' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 114.985 -1.007 . . . . 3.55 111.115 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . 0.536 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.441 -1.015 0 CA-C-O 120.219 -0.212 . . . . 2.82 113.178 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.6 37.21 0.22 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.422 1.106 . . . . 3.83 110.122 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.536 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.312 -1.025 0 CA-C-N 113.598 -1.637 . . . . 3.51 108.373 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.66 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.431 0 N-CA-C 108.862 -0.792 . . . . 2.21 108.862 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.321 -0.674 0 N-CA-C 112.818 0.673 . . . . 1.14 112.818 -178.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.66 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.8 Cg_exo . . . . . 0 CA--C 1.509 -0.766 0 N-CA-C 109.937 -0.832 . . . . 1.37 109.937 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.57 -12.56 77.63 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 113.879 -1.509 . . . . 1.51 112.051 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 61.3 m -66.88 -29.73 69.71 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.624 0.726 . . . . 2.08 110.206 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' N' ' 16' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.311 -1.095 0 CA-C-N 114.638 -1.164 . . . . 3.55 109.521 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.439 -1.154 0 N-CA-C 113.677 0.231 . . . . 2.82 113.677 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.18 28.35 0.19 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.546 0.688 . . . . 3.83 110.979 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' N' ' 12' ' ' LYS . 4.5 mt . . . . . 0 C--N 1.316 -0.885 0 CA-C-N 114.947 -1.024 . . . . 3.51 108.972 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.581 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 15.0 mt . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 109.638 -0.504 . . . . 2.21 109.638 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 45.7 m . . . . . 0 C--N 1.318 -0.78 0 CA-C-N 115.485 -0.779 . . . . 1.14 113.07 -178.78 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.581 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.5 Cg_endo . . . . . 0 CA--C 1.511 -0.648 0 N-CA-C 109.99 -0.812 . . . . 1.37 109.99 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.9 -16.43 66.18 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.77 -1.105 . . . . 1.51 112.244 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 m -70.28 -26.19 63.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.145 0.498 . . . . 2.08 111.404 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 12' ' ' LYS . . . . . 0.444 ' HE3' ' HB3' ' N' ' 12' ' ' LYS . 3.4 mmmt . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.518 -0.765 . . . . 3.55 110.565 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 14' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.44 -1.057 0 N-CA-C 113.715 0.246 . . . . 2.82 113.715 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.86 29.7 0.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.856 0.836 . . . . 3.83 110.366 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 16' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.311 -1.094 0 CA-C-N 114.377 -1.283 . . . . 3.51 108.196 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.757 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.844 ' O6 ' ' H1 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.412 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 112.228 0.455 . . . . 2.22 112.228 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.58 ' OXT' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.522 ' HE3' ' HB3' ' L' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 113.423 0.898 . . . . 4.01 113.423 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . 0.631 ' HB2' HD12 ' N' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . 0.62 ' HB1' ' HA2' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.58 ' HA ' ' OXT' ' L' ' 4' ' ' FGA . 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.288 -0.634 . . . . 2.63 109.288 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.691 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 2.9 mp -110.22 -20.67 6.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 107.462 -1.31 . . . . 1.97 107.462 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.721 HD11 ' H51' ' N' ' 35' ' ' FPP . 0.2 OUTLIER -93.41 71.79 4.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.408 -0.814 . . . . 2.21 108.948 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 m -63.12 100.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.26 -0.882 . . . . 1.14 112.577 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.429 ' O ' ' HG3' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.705 ' HG2' ' H52' ' N' ' 35' ' ' FPP . 5.4 Cg_endo -55.12 -28.72 62.29 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 C-N-CA 121.767 1.645 . . . . 1.37 110.19 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.948 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -85.93 -13.33 69.54 Favored Glycine 0 N--CA 1.433 -1.525 0 CA-C-N 115.062 -0.972 . . . . 1.51 111.933 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . 0.525 ' HA ' HD12 ' N' ' 1' ' ' ILE . 57.1 m -66.38 -28.55 68.73 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.166 0.508 . . . . 2.08 111.429 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.3 1.93 0.4 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.855 -0.612 . . . . 3.55 112.156 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.427 ' HA ' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.38 -153.32 22.67 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.103 -1.046 . . . . 2.82 115.29 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.32 -6.64 3.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.391 0.676 . . . . 3.83 111.814 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' L' ' 6' ' ' DAL . 1.5 mt -78.33 -13.13 59.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.179 -0.919 . . . . 3.51 109.717 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -154.38 -46.71 0.09 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.804 -0.635 . . . . 4.05 112.232 -179.258 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.62 17.97 43.11 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 108.159 -1.977 . . . . 3.2 108.159 -175.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m 63.18 82.9 0.17 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 113.953 -1.124 . . . . 2.97 109.467 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.464 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 0.4 OUTLIER -57.88 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.861 -1.063 . . . . 5.04 111.983 -178.356 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 79.0 mtp 63.07 6.27 2.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.389 0.676 . . . . 7.18 112.161 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -91.58 156.79 17.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.148 0.499 . . . . 6.03 111.113 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.447 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.56 72.36 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.878 -0.601 . . . . 9.75 110.736 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.439 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.447 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 28.7 m -71.79 -23.3 61.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.645 0.735 . . . . 11.27 109.177 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -116.04 22.75 12.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.771 -1.104 . . . . 14.58 108.934 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 11.3 m -85.3 63.05 7.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.846 -1.07 . . . . 14.31 110.812 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.29 -9.57 58.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.786 -0.643 . . . . 17.11 109.558 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -46.99 126.64 2.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 114.566 -1.197 . . . . 16.0 112.411 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -126.21 -82.45 0.62 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.589 -0.732 . . . . 20.04 110.062 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.46 -0.67 8.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.483 -0.781 . . . . 21.31 110.278 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.251 -0.88 . . . . 23.87 110.097 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.948 H12A ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.906 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.906 ' O3 ' ' H1 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.444 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.514 -0.408 0 CA-C-O 120.876 0.369 . . . . 2.22 111.233 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.666 ' C ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.489 ' HB2' ' OE1' ' L' ' 4' ' ' FGA . 46.1 mtmt . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 111.635 0.235 . . . . 4.01 111.635 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' N' ' 11' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.937 -0.394 . . . . 2.63 109.937 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.738 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 2.8 mp -105.15 -32.13 2.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 107.329 -1.36 . . . . 1.97 107.329 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.0 mp -87.93 73.8 9.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.796 -1.093 . . . . 2.21 109.101 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.581 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 13.3 m -63.73 106.41 0.98 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.228 -0.896 . . . . 1.14 111.927 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.469 ' O ' ' HG3' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.713 ' HG2' ' H51' ' N' ' 35' ' ' FPP . 1.2 Cg_endo -51.88 -39.03 69.24 Favored 'Trans proline' 0 CA--C 1.512 -0.586 0 C-N-CA 122.156 1.904 . . . . 1.37 110.427 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.791 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -81.5 -12.86 81.28 Favored Glycine 0 N--CA 1.431 -1.641 0 CA-C-N 114.406 -1.27 . . . . 1.51 112.727 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . 0.674 ' HA ' HD12 ' N' ' 1' ' ' ILE . 75.8 m -58.36 -39.33 79.27 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.101 0.477 . . . . 2.08 111.726 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 0.0 OUTLIER -119.69 8.79 11.27 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.419 -0.809 . . . . 3.55 111.138 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.514 ' HG1' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.47 -149.16 4.99 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 120.426 -0.892 . . . . 2.82 113.499 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -1.94 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.652 0.739 . . . . 3.83 110.944 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 0.7 OUTLIER -86.69 -5.7 59.05 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.704 -1.135 . . . . 3.51 110.223 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -160.0 -33.77 0.06 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 112.628 0.603 . . . . 4.05 112.628 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.7 13.68 72.07 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 107.928 -2.069 . . . . 3.2 107.928 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.514 ' HA ' ' HG1' ' N' ' 13' ' ' DBB . 47.7 m 65.39 91.33 0.08 Allowed 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 113.473 -1.363 . . . . 2.97 110.421 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.56 ' OD1' ' HG3' ' N' ' 22' ' ' LYS . 24.4 t-20 -54.67 -29.51 52.93 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.287 -1.324 . . . . 5.04 112.319 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 21' ' ' MET . . . . . 0.531 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 81.5 mtp 73.82 39.53 0.53 Allowed 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.121 -0.696 . . . . 7.18 109.121 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . 0.56 ' HG3' ' OD1' ' N' ' 20' ' ' ASN . 13.7 mtpp -62.89 119.2 8.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.377 -0.829 . . . . 6.03 112.789 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.488 ' HG3' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.84 59.34 5.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.623 -0.717 . . . . 9.75 110.599 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.521 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.488 ' HB2' ' HG3' ' N' ' 23' ' ' DBB . 4.0 m -68.11 -28.78 67.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.479 -0.934 . . . . 11.27 108.479 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -107.08 19.23 20.7 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 114.175 -1.375 . . . . 14.58 109.184 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.521 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 26.5 m -90.11 137.48 32.31 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.046 -0.979 . . . . 14.31 110.014 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 36.5 m -81.06 59.7 3.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.215 0.531 . . . . 17.11 110.335 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 43.7 mt -77.61 133.05 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.411 -0.813 . . . . 16.0 111.069 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -131.47 152.1 50.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.87 -0.604 . . . . 20.04 110.383 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.59 99.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.101 0.477 . . . . 21.31 110.24 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 tptp . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.07 -0.967 . . . . 23.87 109.74 -179.743 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.791 H12A ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.801 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 1.084 ' H62' ' HG2' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.501 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.514 -0.422 0 CA-C-O 121.338 0.589 . . . . 2.22 110.558 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 1.084 ' HG2' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.43 ' C ' ' H ' ' L' ' 7' ' ' DAL . 53.2 mtmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 111.589 0.218 . . . . 4.01 111.589 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . 0.638 ' C ' ' HA3' ' N' ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 1.008 HG22 ' O1 ' ' N' ' 35' ' ' FPP . 1.9 mt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.433 -0.21 . . . . 2.63 110.433 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . 0.568 ' HB1' HD12 ' N' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.687 HD11 H113 ' L' ' 2' ' ' MUB . 3.8 mp -96.77 -31.9 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.296 -1.001 . . . . 1.97 108.296 177.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.689 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.1 OUTLIER -86.53 78.08 9.27 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.381 -0.97 . . . . 2.21 108.381 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.723 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 16.7 m -61.77 111.43 1.86 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.986 -0.552 . . . . 1.14 112.251 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.432 ' O ' ' HB2' ' N' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.969 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 5.5 Cg_exo -53.58 -43.35 58.43 Favored 'Trans proline' 0 CA--C 1.508 -0.806 0 C-N-CA 121.269 1.313 . . . . 1.37 109.574 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -12.98 70.46 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 114.036 -1.438 . . . . 1.51 112.447 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' N' ' 8' ' ' DBB . 56.6 m -69.16 -26.23 64.76 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.442 0.639 . . . . 2.08 110.412 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 2.0 mmmt -126.64 6.26 6.8 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.834 -1.076 . . . . 3.55 110.592 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.508 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.638 ' HA3' ' C ' ' L' ' 7' ' ' DAL . . . -152.4 -147.16 4.52 Favored Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 119.945 -1.122 . . . . 2.82 114.392 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.46 -15.94 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.444 0.64 . . . . 3.83 110.647 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 5.0 mt -69.51 -25.82 64.23 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.92 -1.036 . . . . 3.51 111.059 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.516 ' HG3' HD21 ' N' ' 20' ' ' ASN . 1.0 OUTLIER -138.14 -30.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.89 0.7 . . . . 4.05 112.89 -177.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.3 18.73 68.33 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 107.544 -2.223 . . . . 3.2 107.544 -175.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 64.9 m 60.11 79.16 0.25 Allowed 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 113.388 -1.406 . . . . 2.97 109.673 -178.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.516 HD21 ' HG3' ' N' ' 17' ' ' MET . 0.5 OUTLIER -68.09 -80.1 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.179 -1.373 . . . . 5.04 111.853 -177.427 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 21' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 61.0 mtt 75.27 -31.16 0.2 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.34 0.656 . . . . 7.18 110.362 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' N' ' 20' ' ' ASN . 17.9 pttt -90.55 167.18 12.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.363 -0.835 . . . . 6.03 109.708 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.484 ' HG2' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.37 74.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.811 -0.631 . . . . 9.75 109.781 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.586 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.484 ' HB2' ' HG2' ' N' ' 23' ' ' DBB . 29.5 m -68.62 -30.59 69.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.459 -0.791 . . . . 11.27 110.379 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -111.97 20.56 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.808 -0.812 . . . . 14.58 108.808 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.586 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 1.7 m -74.19 139.25 44.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.589 -1.187 . . . . 14.31 111.159 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 12.4 m -79.47 -7.79 58.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.425 0.631 . . . . 17.11 110.223 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 pt -90.11 55.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.62 -0.718 . . . . 16.0 111.022 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -114.21 -60.67 1.85 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.506 0.669 . . . . 20.04 110.012 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -124.39 7.09 4.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 115.35 -0.841 . . . . 21.31 110.343 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.113 -0.946 . . . . 23.87 109.866 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 1.008 ' O1 ' HG22 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.827 ' H1 ' ' O11' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 1.029 ' H5 ' ' HD3' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.462 ' HA ' ' C8 ' ' L' ' 1' ' ' NAG . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 112.622 0.601 . . . . 2.22 112.622 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.888 ' OE1' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 1.029 ' HD3' ' H5 ' ' L' ' 2' ' ' MUB . 6.1 mtpt . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 112.038 0.384 . . . . 4.01 112.038 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.822 HG22 ' O1 ' ' N' ' 35' ' ' FPP . 1.5 mm . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 109.742 -0.466 . . . . 2.63 109.742 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 6.3 mt -119.17 -33.9 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.895 -1.048 . . . . 1.97 108.581 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.643 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.6 OUTLIER -101.79 68.85 1.17 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.889 -0.782 . . . . 2.21 108.889 179.655 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.501 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 22.3 m -63.52 99.1 0.19 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 1.14 112.566 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.888 ' HG2' ' H52' ' N' ' 35' ' ' FPP . 3.6 Cg_endo -57.34 -28.76 81.51 Favored 'Trans proline' 0 CA--C 1.511 -0.648 0 C-N-CA 121.667 1.578 . . . . 1.37 110.378 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.832 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -85.11 -10.74 77.65 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 114.76 -1.109 . . . . 1.51 111.431 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.99 -37.73 81.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.156 0.503 . . . . 2.08 111.865 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.432 ' HA ' HD13 ' N' ' 16' ' ' LEU . 0.0 OUTLIER -134.36 9.13 3.71 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.876 -0.602 . . . . 3.55 111.264 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.427 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.65 -151.99 5.6 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 119.802 -1.19 . . . . 2.82 114.748 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.31 -15.56 57.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.383 0.611 . . . . 3.83 111.37 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' N' ' 12' ' ' LYS . 2.9 mt -72.06 -16.52 62.04 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.139 -0.937 . . . . 3.51 110.897 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -150.61 -36.02 0.15 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.368 0.877 . . . . 4.05 113.368 -177.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.72 12.44 64.32 Favored Glycine 0 N--CA 1.441 -1.026 0 N-CA-C 107.712 -2.155 . . . . 3.2 107.712 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.405 ' HA ' ' HG2' ' N' ' 13' ' ' DBB . 54.6 m 70.22 87.97 0.11 Allowed 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 113.312 -1.444 . . . . 2.97 110.47 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' N' ' 21' ' ' MET . 33.8 t30 -78.31 -39.91 38.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 113.979 -1.464 . . . . 5.04 110.519 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 21' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 87.9 mtp 74.53 -49.92 0.67 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.16 -0.927 . . . . 7.18 111.084 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -78.95 148.43 32.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.93 0.395 . . . . 6.03 110.544 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.505 ' HG3' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.74 59.09 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.411 0.624 . . . . 9.75 111.229 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.52 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.505 ' HB2' ' HG3' ' N' ' 23' ' ' DBB . 2.9 m -69.0 -25.54 64.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.676 -0.861 . . . . 11.27 108.676 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -112.64 23.36 13.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.641 -1.163 . . . . 14.58 109.131 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.52 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 15.2 m -90.69 117.58 29.45 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 114.81 -1.086 . . . . 14.31 110.593 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -88.3 25.79 1.57 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.186 0.517 . . . . 17.11 110.047 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 22.5 mt -71.61 101.69 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.709 . . . . 16.0 110.592 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -126.04 -35.81 2.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.239 0.542 . . . . 20.04 110.43 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.96 93.6 2.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.366 -0.834 . . . . 21.31 110.134 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.421 -0.799 . . . . 23.87 109.553 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.888 ' H52' ' HG2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.799 ' H1 ' ' O11' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.85 ' O6 ' ' H1 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.429 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.448 -0.57 0 N-CA-C 113.14 0.792 . . . . 2.22 113.14 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.479 ' C ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' L' ' 5' ' ' LYS . 19.5 mtpt . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.158 0.504 . . . . 4.01 111.767 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.984 HG22 ' O1 ' ' N' ' 35' ' ' FPP . 1.3 mt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 110.01 -0.367 . . . . 2.63 110.01 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.49 HD11 H113 ' L' ' 2' ' ' MUB . 3.6 mp -125.88 -29.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.569 -0.9 . . . . 1.97 108.569 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.504 HD22 H151 ' N' ' 35' ' ' FPP . 0.3 OUTLIER -132.93 55.27 1.91 Allowed 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.158 -0.928 . . . . 2.21 109.983 179.609 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.658 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 1.3 m -41.38 119.5 1.23 Allowed 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 113.01 0.745 . . . . 1.14 113.01 -177.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.457 ' O ' ' HB2' ' N' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.905 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 4.8 Cg_exo -56.49 -45.72 35.28 Favored 'Trans proline' 0 CA--C 1.507 -0.866 0 C-N-CA 121.442 1.428 . . . . 1.37 109.213 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.11 -17.19 67.65 Favored Glycine 0 N--CA 1.431 -1.636 0 CA-C-N 113.749 -1.569 . . . . 1.51 112.153 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' N' ' 8' ' ' DBB . 58.9 m -65.96 -28.47 68.93 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.926 0.87 . . . . 2.08 110.448 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.584 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 0.1 OUTLIER -120.46 22.14 11.38 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.28 -1.327 . . . . 3.55 109.119 -179.7 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.584 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.35 -142.77 3.8 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 119.236 -1.459 . . . . 2.82 115.267 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.07 -2.31 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.513 0.673 . . . . 3.83 110.611 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.34 -12.86 57.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.129 -0.941 . . . . 3.51 109.125 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.99 -57.69 0.19 Allowed 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.807 -1.088 . . . . 4.05 111.743 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.44 9.66 14.53 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 109.239 -1.545 . . . . 3.2 109.239 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m 65.63 70.83 0.44 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 114.164 -1.018 . . . . 2.97 111.002 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 70.51 -81.51 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.295 -1.321 . . . . 5.04 111.488 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 40.3 mtt 62.4 17.37 9.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.092 0.473 . . . . 7.18 111.304 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -90.52 163.78 14.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.927 -0.579 . . . . 6.03 110.225 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.485 ' HG2' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 62.31 4.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.373 0.606 . . . . 9.75 111.16 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.54 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.485 ' HB2' ' HG2' ' N' ' 23' ' ' DBB . 2.8 m -69.69 -24.64 63.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.712 0.768 . . . . 11.27 109.189 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -116.02 27.32 9.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.622 -1.172 . . . . 14.58 108.861 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 3.7 m -87.73 -169.61 2.66 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.558 -1.201 . . . . 14.31 110.682 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -66.22 104.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.364 -0.38 . . . . 17.11 111.129 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -90.0 144.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.583 -0.525 . . . . 16.0 109.583 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -127.13 104.99 8.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.913 0.387 . . . . 20.04 111.436 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 19.3 t -81.05 111.21 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.921 -0.581 . . . . 21.31 109.668 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.306 -0.854 . . . . 23.87 110.303 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.984 ' O1 ' HG22 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.881 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 1.092 ' H62' ' HG2' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.581 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.515 -0.386 0 CA-C-O 121.591 0.71 . . . . 2.22 110.088 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 1.092 ' HG2' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt . . . . . 0 N--CA 1.444 -0.754 0 CA-C-O 120.812 0.339 . . . . 4.01 110.556 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.904 HG23 ' O1 ' ' N' ' 35' ' ' FPP . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.943 -0.392 . . . . 2.63 109.943 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -102.04 -44.43 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.044 0.449 . . . . 1.97 110.363 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.657 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 3.9 mp -95.39 73.05 3.27 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.192 -1.04 . . . . 2.21 108.192 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 90.44 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.43 -1.259 . . . . 1.14 113.103 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.627 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.0 Cg_endo -54.91 -33.2 81.38 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.722 1.615 . . . . 1.37 110.491 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.867 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -79.42 -14.35 81.55 Favored Glycine 0 N--CA 1.434 -1.495 0 CA-C-N 114.386 -1.279 . . . . 1.51 111.749 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 38.0 m -68.78 -37.46 79.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.269 0.557 . . . . 2.08 111.152 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' N' ' 14' ' ' GLY . 0.4 OUTLIER -112.68 -4.08 14.16 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.381 -0.827 . . . . 3.55 110.177 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.441 ' HG1' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' N' ' 12' ' ' LYS . . . -131.4 -154.35 7.8 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.736 -0.745 . . . . 2.82 113.647 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.17 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 3.83 111.522 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -77.59 -10.48 59.53 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.307 -0.861 . . . . 3.51 109.769 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -152.97 -42.41 0.1 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 113.097 0.777 . . . . 4.05 113.097 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.91 12.19 68.97 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 107.594 -2.202 . . . . 3.2 107.594 -175.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' N' ' 20' ' ' ASN . 88.4 m 68.53 14.47 9.08 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 113.128 -1.536 . . . . 2.97 111.961 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' N' ' 21' ' ' MET . 11.2 t-20 174.42 -23.2 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.284 -0.416 . . . . 5.04 111.595 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 21' ' ' MET . . . . . 0.501 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 73.6 mtm 77.42 12.62 2.04 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.23 0.612 . . . . 7.18 111.116 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . 0.447 ' HG3' ' OD1' ' N' ' 20' ' ' ASN . 3.0 mtmm -68.11 114.98 7.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.419 -0.355 . . . . 6.03 110.727 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.85 86.72 2.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.591 . . . . 9.75 110.145 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.679 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.46 -31.87 67.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.926 -1.033 . . . . 11.27 109.104 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -103.57 18.32 22.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.536 -1.211 . . . . 14.58 108.672 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.679 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 2.3 m -77.38 109.99 11.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.773 -1.103 . . . . 14.31 110.77 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.29 79.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.123 -0.49 . . . . 17.11 110.48 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 5.9 mt -91.79 32.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.7 0.762 . . . . 16.0 110.15 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -132.2 154.58 49.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.667 -0.697 . . . . 20.04 109.589 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 4.8 t -106.0 -3.93 9.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.802 0.811 . . . . 21.31 109.823 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 tptm . . . . . 0 C--O 1.246 0.869 0 CA-C-O 117.882 -1.056 . . . . 23.87 109.537 179.557 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.904 ' O1 ' HG23 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.689 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.962 ' H4A' ' C10' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.854 ' HB1' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.513 -0.448 0 N-CA-C 108.623 -0.88 . . . . 2.22 108.623 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.437 ' HB3' ' HE2' ' L' ' 5' ' ' LYS . 3.5 mtpt . . . . . 0 CA--C 1.503 -0.833 0 N-CA-C 108.435 -0.95 . . . . 4.01 108.435 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . 0.591 ' H ' ' HB2' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . 0.407 ' O ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.94 HG23 ' O1 ' ' N' ' 35' ' ' FPP . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.55 -0.167 . . . . 2.63 110.55 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mt -121.85 -39.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.576 -0.527 . . . . 1.97 109.576 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.615 HD11 ' H61' ' N' ' 35' ' ' FPP . 1.0 OUTLIER -97.52 64.79 1.86 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.857 -0.794 . . . . 2.21 108.857 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 99.45 0.07 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.182 1.179 . . . . 1.14 114.182 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.415 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.609 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo -54.2 -39.37 86.59 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.822 1.681 . . . . 1.37 110.386 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.75 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -74.4 -15.08 80.44 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.655 -1.157 . . . . 1.51 111.86 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 m -66.49 -26.13 67.03 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.462 0.648 . . . . 2.08 110.351 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.648 ' HA ' HD13 ' N' ' 16' ' ' LEU . 4.1 mmmt -117.9 13.53 14.04 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.518 -1.219 . . . . 3.55 109.382 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.581 ' HG2' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.07 -142.93 3.52 Favored Glycine 0 N--CA 1.44 -1.038 0 C-N-CA 121.289 -0.481 . . . . 2.82 112.839 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.25 -3.71 28.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.343 0.592 . . . . 3.83 110.593 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' N' ' 12' ' ' LYS . 4.4 mt -80.55 -26.11 38.2 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 3.51 109.699 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.499 ' HB2' ' O ' ' N' ' 12' ' ' LYS . 0.7 OUTLIER -136.07 -58.47 0.75 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.706 -0.679 . . . . 4.05 111.293 -179.049 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.07 -17.08 9.24 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 109.933 -1.267 . . . . 3.2 109.933 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m 64.8 177.59 0.19 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.473 -0.864 . . . . 2.97 111.542 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' N' ' 21' ' ' MET . 0.9 OUTLIER -119.19 -71.63 0.73 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.424 -0.353 . . . . 5.04 110.708 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' N' N ' 21' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 83.2 mtp 73.57 -47.13 0.65 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.859 0.724 . . . . 7.18 110.918 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -75.31 109.41 8.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.194 -0.457 . . . . 6.03 110.615 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.424 ' HG2' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.81 55.54 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.347 0.594 . . . . 9.75 110.472 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.509 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.424 ' HB2' ' HG2' ' N' ' 23' ' ' DBB . 3.2 m -66.43 -32.56 74.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.357 -0.838 . . . . 11.27 109.375 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -111.75 26.4 10.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.982 -1.008 . . . . 14.58 109.21 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 5.4 m -85.43 137.65 32.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.785 -1.098 . . . . 14.31 110.396 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -77.53 109.36 11.4 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.166 -0.47 . . . . 17.11 110.551 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.31 55.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.578 0.704 . . . . 16.0 109.376 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -136.22 140.9 43.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 20.04 109.606 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 29.2 t -75.83 110.59 11.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.099 -0.5 . . . . 21.31 110.646 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' N' ' 34' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 117.999 -1.0 . . . . 23.87 109.517 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.94 ' O1 ' HG23 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.863 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.863 ' O3 ' ' H1 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.502 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.286 0.565 . . . . 2.22 111.684 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.735 ' OXT' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.539 ' HE3' ' HB3' ' L' ' 5' ' ' LYS . 3.4 mtpp . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.313 0.578 . . . . 4.01 112.284 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.594 ' HB ' ' O3A' ' N' ' 35' ' ' FPP . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.843 -0.058 . . . . 2.63 110.843 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.501 HD11 H113 ' L' ' 2' ' ' MUB . 4.6 mp -100.0 -35.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.934 -1.136 . . . . 1.97 107.934 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.523 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -83.72 78.76 9.64 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.561 -0.745 . . . . 2.21 109.295 179.113 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.581 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 19.6 m -73.57 111.33 8.61 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.577 -0.738 . . . . 1.14 112.467 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.568 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' N' ' 13' ' ' DBB . 5.5 Cg_endo -51.55 -47.4 26.35 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.951 1.768 . . . . 1.37 110.82 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.578 ' CA ' ' H42' ' N' ' 35' ' ' FPP . . . -62.71 -24.24 66.12 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.727 -1.124 . . . . 1.51 111.969 178.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -70.1 -20.37 63.2 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.599 0.714 . . . . 2.08 110.388 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.445 ' HA ' HD13 ' N' ' 16' ' ' LEU . 1.5 mmmt -123.82 19.22 9.38 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.712 -1.131 . . . . 3.55 109.124 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.601 ' HG2' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -171.36 -137.97 2.43 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 119.98 -1.105 . . . . 2.82 113.98 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.02 21.81 0.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.993 0.901 . . . . 3.83 110.02 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.1 OUTLIER -113.34 2.97 15.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.338 -1.301 . . . . 3.51 109.169 -179.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.544 ' HG2' ' HG3' ' N' ' 21' ' ' MET . 0.0 OUTLIER -172.3 -30.9 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.481 -0.782 . . . . 4.05 111.991 -177.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.94 9.15 81.32 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 107.099 -2.401 . . . . 3.2 107.099 -174.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.463 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 94.0 m 64.98 22.42 12.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 112.835 -1.683 . . . . 2.97 111.958 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' N' ' 21' ' ' MET . 1.6 t-20 179.32 -22.05 0.0 OUTLIER 'General case' 0 C--O 1.231 0.101 0 N-CA-C 112.35 0.5 . . . . 5.04 112.35 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 21' ' ' MET . . . . . 0.544 ' HG3' ' HG2' ' N' ' 17' ' ' MET . 90.5 mtp 75.76 -65.11 0.33 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.078 0.551 . . . . 7.18 110.489 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.92 118.59 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.612 -0.514 . . . . 6.03 109.612 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.513 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.8 75.66 2.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.586 -0.733 . . . . 9.75 111.952 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.513 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 14.0 m -80.33 -15.13 57.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.85 0.833 . . . . 11.27 109.119 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -126.97 35.78 4.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.171 -1.377 . . . . 14.58 107.334 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.94 11.04 33.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.458 -1.247 . . . . 14.31 111.683 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.71 2.26 51.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.489 0.662 . . . . 17.11 109.68 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.84 153.63 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.048 -0.978 . . . . 16.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -94.91 108.34 20.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.151 -0.477 . . . . 20.04 109.941 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 6.5 p -98.01 123.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.244 0.545 . . . . 21.31 110.6 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 tttp . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.833 -1.08 . . . . 23.87 109.496 -179.707 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.594 ' O3A' ' HB ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.764 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.928 ' H62' ' HG2' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.615 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.34 0.591 . . . . 2.22 110.94 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.928 ' HG2' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' L' ' 5' ' ' LYS . 33.4 mtmt . . . . . 0 N--CA 1.441 -0.909 0 CA-C-O 120.716 0.294 . . . . 4.01 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 1.051 HG22 ' O1 ' ' N' ' 35' ' ' FPP . 0.4 OUTLIER . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.265 0.079 . . . . 2.63 110.819 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.687 HD11 H111 ' L' ' 2' ' ' MUB . 4.9 mp -101.85 -34.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.18 -1.044 . . . . 1.97 108.18 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.66 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -84.1 73.99 10.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.546 -0.752 . . . . 2.21 109.051 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.701 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 16.7 m -64.48 110.23 2.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.875 -0.602 . . . . 1.14 112.035 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.441 ' O ' ' HB2' ' N' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 1.001 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 6.3 Cg_exo -52.43 -43.7 52.42 Favored 'Trans proline' 0 CA--C 1.511 -0.67 0 C-N-CA 121.956 1.771 . . . . 1.37 109.963 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.08 -14.51 76.32 Favored Glycine 0 N--CA 1.431 -1.633 0 CA-C-N 113.727 -1.579 . . . . 1.51 112.447 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . 0.524 ' N ' HD12 ' N' ' 1' ' ' ILE . 62.2 m -64.32 -32.03 73.47 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.706 0.765 . . . . 2.08 110.419 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 2.6 mmmt -112.41 7.29 19.08 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 114.779 -1.101 . . . . 3.55 109.995 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.574 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' N' ' 12' ' ' LYS . . . -135.55 -155.27 7.23 Favored Glycine 0 N--CA 1.436 -1.366 0 C-N-CA 120.485 -0.864 . . . . 2.82 113.805 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -10.21 48.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.329 0.585 . . . . 3.83 111.344 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.449 HD13 ' O ' ' N' ' 11' ' ' CYS . 3.1 mt -76.29 -3.02 34.42 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.317 -0.856 . . . . 3.51 109.887 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.435 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.2 OUTLIER -158.99 -41.37 0.06 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.894 -0.594 . . . . 4.05 112.021 -179.573 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.79 16.53 56.29 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 108.242 -1.943 . . . . 3.2 108.242 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.459 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 95.0 m 63.11 88.32 0.1 Allowed 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 113.897 -1.152 . . . . 2.97 110.078 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.435 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 9.0 t30 -53.63 -52.03 61.21 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.04 -1.436 . . . . 5.04 111.601 -178.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 21' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 31.8 mtt 72.13 -49.53 0.69 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.518 0.727 . . . . 7.18 111.743 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -64.18 133.21 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.327 0.584 . . . . 6.03 110.92 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.407 ' HG2' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.01 94.42 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.914 -0.584 . . . . 9.75 109.475 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.568 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.407 ' HB2' ' HG2' ' N' ' 23' ' ' DBB . 72.2 m -77.93 -22.21 49.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.208 -0.906 . . . . 11.27 109.537 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -110.81 14.81 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.028 -0.987 . . . . 14.58 108.43 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.568 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 5.8 m -76.38 133.33 39.95 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.256 -1.338 . . . . 14.31 110.508 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -70.28 108.46 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.457 -0.338 . . . . 17.11 110.192 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 21.0 mt -83.89 86.3 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.059 0.457 . . . . 16.0 111.066 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.83 116.69 4.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.792 -0.64 . . . . 20.04 109.366 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 6.5 p -77.31 113.76 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.464 0.649 . . . . 21.31 110.772 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 48.8 tttp . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.769 -0.634 . . . . 23.87 109.493 179.648 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 1.051 ' O1 ' HG22 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.801 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.885 ' H62' ' C ' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.694 ' H ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.382 0.61 . . . . 2.22 111.102 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.885 ' C ' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.504 ' HB3' ' HE3' ' L' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 112.391 0.515 . . . . 4.01 112.391 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.675 HG23 ' O1 ' ' N' ' 35' ' ' FPP . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.795 -0.446 . . . . 2.63 109.795 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 6.5 mt -106.41 -27.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.797 -1.186 . . . . 1.97 107.797 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.745 HD11 ' H62' ' N' ' 35' ' ' FPP . 3.5 mp -88.59 74.94 8.38 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.601 -1.181 . . . . 2.21 108.797 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.581 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 21.7 m -66.18 105.84 1.5 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.642 -0.708 . . . . 1.14 112.839 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.469 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 9.5 Cg_endo -56.06 -30.53 79.05 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.883 1.722 . . . . 1.37 110.685 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.574 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -83.44 -6.76 87.28 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.238 -0.892 . . . . 1.51 111.749 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 20.4 m -78.82 -34.43 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 112.088 0.403 . . . . 2.08 112.088 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.774 ' HA ' HD13 ' N' ' 16' ' ' LEU . 0.0 OUTLIER -140.84 14.19 2.29 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.212 -0.449 . . . . 3.55 111.411 -179.346 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.452 ' HG2' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.06 -141.65 3.18 Favored Glycine 0 N--CA 1.438 -1.205 0 C-N-CA 120.104 -1.046 . . . . 2.82 113.366 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -0.01 12.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.68 0.753 . . . . 3.83 110.768 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.774 HD13 ' HA ' ' N' ' 12' ' ' LYS . 0.6 OUTLIER -89.58 -1.86 58.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.586 -1.188 . . . . 3.51 110.29 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.543 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -163.81 -42.48 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.498 0.666 . . . . 4.05 112.206 -178.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.7 11.44 56.83 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 106.476 -2.649 . . . . 3.2 106.476 -174.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.452 ' HA ' ' HG2' ' N' ' 13' ' ' DBB . 58.0 m 65.03 77.38 0.31 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 112.81 -1.695 . . . . 2.97 109.755 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.543 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 15.9 m-20 -68.84 -85.39 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.398 -0.819 . . . . 5.04 110.494 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 86.4 mtp 62.16 9.49 3.2 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.895 0.478 . . . . 7.18 112.055 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.48 162.96 14.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.36 . . . . 6.03 110.14 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.521 ' HG2' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.92 62.67 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.426 0.632 . . . . 9.75 110.771 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.476 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.521 ' HB2' ' HG2' ' N' ' 23' ' ' DBB . 11.0 m -67.85 -30.37 69.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.687 0.756 . . . . 11.27 109.18 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -109.98 21.27 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.996 -1.002 . . . . 14.58 109.356 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.476 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 11.5 m -83.89 135.88 34.32 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.036 -0.984 . . . . 14.31 110.558 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -78.36 103.54 8.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.276 -0.42 . . . . 17.11 110.384 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 13.4 mt -96.19 118.32 42.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 16.0 109.823 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -120.44 141.56 50.04 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.124 0.488 . . . . 20.04 111.908 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.99 114.69 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 N-CA-C 108.692 -0.855 . . . . 21.31 108.692 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.489 -0.767 . . . . 23.87 109.544 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.745 ' H62' HD11 ' N' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.933 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.933 ' O3 ' ' H1 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.627 ' HB3' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 120.676 0.275 . . . . 2.22 111.064 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.481 ' C ' ' HG2' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.481 ' HG2' ' C ' ' L' ' 4' ' ' FGA . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.096 -0.705 . . . . 4.01 109.096 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.509 HG23 ' O1 ' ' N' ' 35' ' ' FPP . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.705 -0.48 . . . . 2.63 109.705 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 mt -104.99 -30.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.002 -0.74 . . . . 1.97 109.002 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.575 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -89.93 74.41 7.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.593 -0.892 . . . . 2.21 108.593 179.223 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.591 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 23.8 m -66.71 102.11 0.89 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.318 0.859 . . . . 1.14 113.318 -178.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.519 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.754 ' HG2' ' H52' ' N' ' 35' ' ' FPP . 3.0 Cg_endo -47.79 -48.55 15.66 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.296 1.997 . . . . 1.37 111.191 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.718 ' H ' ' H2 ' ' N' ' 35' ' ' FPP . . . -66.37 -23.23 71.69 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 114.292 -1.322 . . . . 1.51 112.487 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.26 -23.13 66.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.881 0.848 . . . . 2.08 110.348 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.521 ' HA ' HD13 ' N' ' 16' ' ' LEU . 0.2 OUTLIER -127.53 24.47 6.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.513 -1.222 . . . . 3.55 109.325 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.492 ' HG2' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.562 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -179.35 -143.39 5.39 Favored Glycine 0 N--CA 1.439 -1.106 0 C-N-CA 120.039 -1.077 . . . . 2.82 114.532 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.07 28.2 0.09 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.964 0.887 . . . . 3.83 110.661 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.562 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER -119.97 7.93 10.97 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.329 -1.305 . . . . 3.51 108.35 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.422 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER 179.56 -26.65 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.266 -0.879 . . . . 4.05 112.307 -177.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.02 16.42 69.87 Favored Glycine 0 N--CA 1.44 -1.088 0 N-CA-C 107.117 -2.393 . . . . 3.2 107.117 -174.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.462 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 67.5 m 60.54 57.82 2.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 113.431 -1.385 . . . . 2.97 109.689 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.422 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 0.4 OUTLIER -62.21 -52.4 63.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 114.539 -1.21 . . . . 5.04 111.575 -178.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' N' N ' 21' ' ' MET . . . . . 0.427 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 76.7 mtm 61.36 34.11 18.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.645 0.736 . . . . 7.18 109.132 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.14 174.64 7.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.857 -1.065 . . . . 6.03 112.481 -178.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.448 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.0 83.2 2.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.506 -0.77 . . . . 9.75 109.307 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.61 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.448 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 38.2 m -68.93 -26.11 64.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.441 -0.8 . . . . 11.27 109.703 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -112.93 20.79 16.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.1 -0.954 . . . . 14.58 109.111 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.61 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 3.7 m -79.05 170.89 15.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.353 -1.294 . . . . 14.31 110.497 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.06 96.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.401 -0.363 . . . . 17.11 110.737 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 35.3 mt -128.32 102.37 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.28 -0.418 . . . . 16.0 110.837 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -136.0 -14.1 1.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 20.04 111.245 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 5.3 p -107.79 12.15 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.524 0.678 . . . . 21.31 110.413 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' N' ' 34' ' ' LYS . 6.5 tptp . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.716 -0.659 . . . . 23.87 109.714 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.754 ' H52' ' HG2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.737 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.856 ' H61' ' HB1' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.856 ' HB1' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.513 -0.444 0 N-CA-C 110.067 -0.346 . . . . 2.22 110.067 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.532 ' HA ' ' H83' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.647 ' HB2' ' H82' ' L' ' 1' ' ' NAG . 51.6 mtpt . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 112.877 0.695 . . . . 4.01 112.877 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.463 ' CG2' ' H1 ' ' L' ' 2' ' ' MUB . 0.7 OUTLIER . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.997 -0.372 . . . . 2.63 109.997 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . 0.713 ' HG2' H112 ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.505 HD13 ' HN2' ' L' ' 2' ' ' MUB . 14.2 mt -111.65 -33.81 2.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 107.786 -1.19 . . . . 1.97 107.786 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.581 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.7 mp -88.91 72.62 8.46 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.872 -1.058 . . . . 2.21 109.128 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 29.0 m -62.64 106.87 0.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.039 -0.982 . . . . 1.14 113.003 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.405 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.581 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.4 Cg_endo -52.72 -42.72 60.94 Favored 'Trans proline' 0 CA--C 1.513 -0.553 0 C-N-CA 121.491 1.46 . . . . 1.37 109.592 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.917 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -67.69 -22.07 73.31 Favored Glycine 0 N--CA 1.436 -1.315 0 CA-C-N 114.329 -1.305 . . . . 1.51 112.054 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 m -63.31 -28.48 70.04 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.414 0.626 . . . . 2.08 110.636 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.76 ' HA ' HD13 ' N' ' 16' ' ' LEU . 1.9 mmmm -117.99 15.43 14.22 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.962 -1.017 . . . . 3.55 109.629 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.581 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.53 -140.34 2.89 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.852 -0.69 . . . . 2.82 112.783 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.24 1.32 9.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.62 0.724 . . . . 3.83 110.683 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' N' ' 12' ' ' LYS . 1.3 mt -91.73 -8.41 46.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.097 -0.956 . . . . 3.51 110.412 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' N' ' 12' ' ' LYS . 0.0 OUTLIER -154.64 -49.22 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.443 0.64 . . . . 4.05 111.697 -178.68 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.0 -16.71 35.89 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 109.311 -1.515 . . . . 3.2 109.311 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m 63.45 99.75 0.03 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 114.339 -0.931 . . . . 2.97 111.904 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.49 ' OD1' ' HE2' ' N' ' 22' ' ' LYS . 41.5 m-80 -72.79 -98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.814 -0.63 . . . . 5.04 110.73 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 64.0 mtm 61.97 18.96 10.35 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.389 0.614 . . . . 7.18 110.491 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . 0.49 ' HE2' ' OD1' ' N' ' 20' ' ' ASN . 35.2 pttt -91.02 142.34 27.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.326 -0.852 . . . . 6.03 111.026 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.522 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.75 81.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.984 0.421 . . . . 9.75 110.211 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.612 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.522 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 71.0 m -68.83 -21.62 64.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.374 -0.83 . . . . 11.27 110.32 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -117.78 18.28 14.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.582 -0.896 . . . . 14.58 108.582 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.612 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 4.0 m -78.54 106.11 10.28 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.462 -1.244 . . . . 14.31 111.119 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.92 11.4 2.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.511 0.672 . . . . 17.11 110.943 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pt -81.86 35.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.589 -0.732 . . . . 16.0 111.645 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.26 -9.79 4.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.11 -0.496 . . . . 20.04 110.622 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 3.9 m -116.68 19.44 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.285 -0.416 . . . . 21.31 111.105 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.775 0 CA-C-O 118.416 -0.802 . . . . 23.87 109.954 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.917 H12A ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.698 ' H3 ' ' O7 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.978 ' H62' ' HG3' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.602 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.508 -0.657 0 CA-C-O 121.497 0.665 . . . . 2.22 110.175 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.978 ' HG3' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 121.11 0.481 . . . . 4.01 111.166 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.681 HG22 ' O1 ' ' N' ' 35' ' ' FPP . 1.1 mm . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.633 -0.506 . . . . 2.63 109.633 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.504 HD11 H113 ' L' ' 2' ' ' MUB . 3.7 mp -112.65 -34.92 2.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.056 -1.09 . . . . 1.97 108.056 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.494 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 6.3 mt -94.17 69.38 3.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.452 -0.795 . . . . 2.21 109.703 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.491 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 22.4 m -64.85 100.62 0.42 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.492 -0.776 . . . . 1.14 112.142 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.42 ' O ' ' HG2' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.6 ' HB2' ' H52' ' N' ' 35' ' ' FPP . 1.0 OUTLIER -53.46 -36.33 79.25 Favored 'Trans proline' 0 CA--C 1.51 -0.691 0 C-N-CA 121.712 1.608 . . . . 1.37 109.77 178.648 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.85 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -76.96 -18.37 78.84 Favored Glycine 0 N--CA 1.429 -1.768 0 CA-C-N 114.042 -1.436 . . . . 1.51 112.078 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . 0.429 ' HA ' HD12 ' N' ' 1' ' ' ILE . 60.2 m -61.27 -31.62 71.43 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.747 0.784 . . . . 2.08 111.227 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.705 ' HB3' ' HG2' ' N' ' 17' ' ' MET . 0.1 OUTLIER -114.5 8.8 16.55 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.752 -1.113 . . . . 3.55 109.402 179.223 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.406 ' HB2' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.626 ' O ' ' HA2' ' N' ' 18' ' ' GLY . . . -118.88 -146.15 7.87 Favored Glycine 0 CA--C 1.496 -1.117 0 C-N-CA 120.079 -1.058 . . . . 2.82 115.693 -176.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.95 -29.92 7.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.821 -1.19 . . . . 3.83 109.322 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.87 -46.16 90.64 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.801 -1.185 . . . . 3.51 107.801 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.705 ' HG2' ' HB3' ' N' ' 12' ' ' LYS . 0.3 OUTLIER -98.39 -16.51 19.26 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 113.965 -1.471 . . . . 4.05 108.704 177.757 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . 0.626 ' HA2' ' O ' ' N' ' 14' ' ' GLY . . . 52.7 32.4 39.8 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 114.387 -1.278 . . . . 3.2 113.316 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' N' ' 20' ' ' ASN . 94.6 m 54.72 44.08 29.11 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.505 0.669 . . . . 2.97 110.694 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.495 ' ND2' ' HE2' ' N' ' 22' ' ' LYS . 3.7 m-20 73.71 -88.65 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 114.083 -1.417 . . . . 5.04 111.623 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 65.9 mtp 55.95 23.98 7.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.171 0.51 . . . . 7.18 111.059 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . 0.495 ' HE2' ' ND2' ' N' ' 20' ' ' ASN . 28.3 pttt -85.99 155.29 20.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.817 -0.629 . . . . 6.03 110.889 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.406 ' HG3' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.58 58.22 4.09 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.846 -0.615 . . . . 9.75 110.562 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.427 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.406 ' HB2' ' HG3' ' N' ' 23' ' ' DBB . 9.5 m -67.19 -24.38 65.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.641 0.734 . . . . 11.27 109.888 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -118.31 17.85 13.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.039 -0.982 . . . . 14.58 109.378 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 12.5 m -79.81 129.74 34.73 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.854 -1.066 . . . . 14.31 111.009 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -70.79 104.87 3.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.177 -0.465 . . . . 17.11 110.36 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 16.6 mt -81.42 125.81 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.714 -0.676 . . . . 16.0 110.307 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -75.62 132.25 40.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.854 -0.612 . . . . 20.04 111.195 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.62 81.86 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.736 -0.665 . . . . 21.31 109.773 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.811 0 CA-C-N 115.097 -0.956 . . . . 23.87 109.664 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.85 H12A ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.796 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 1.026 ' H62' ' HG2' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.535 ' H ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 121.526 0.679 . . . . 2.22 110.655 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 1.026 ' HG2' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.653 ' HG2' H112 ' N' ' 35' ' ' FPP . 21.6 mtpt . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.669 0.271 . . . . 4.01 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.443 HD13 HG22 ' N' ' 1' ' ' ILE . 1.1 mm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.405 -0.591 . . . . 2.63 109.405 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 6.5 mt -95.4 -44.99 13.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.134 -0.691 . . . . 1.97 109.134 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.621 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 2.6 mp -82.94 71.77 10.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.132 -0.94 . . . . 2.21 108.929 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 99.58 0.12 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.593 -1.185 . . . . 1.14 113.604 -178.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.442 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.621 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo -54.05 -38.92 87.19 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.591 1.528 . . . . 1.37 110.115 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.805 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -68.7 -26.21 74.63 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.896 -1.047 . . . . 1.51 111.154 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 m -62.56 -28.5 69.91 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.029 0.918 . . . . 2.08 109.939 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.626 ' HA ' HD13 ' N' ' 16' ' ' LEU . 1.2 mmmm -123.31 31.54 5.93 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.146 -1.388 . . . . 3.55 108.257 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.69 ' HG3' ' HA2' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.572 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -178.23 -145.6 6.07 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 119.832 -1.175 . . . . 2.82 115.041 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.16 29.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.896 0.855 . . . . 3.83 111.04 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.626 HD13 ' HA ' ' N' ' 12' ' ' LYS . 0.2 OUTLIER -119.61 10.59 11.8 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.138 -1.392 . . . . 3.51 107.924 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.419 ' HB2' ' CB ' ' N' ' 12' ' ' LYS . 1.0 OUTLIER 178.46 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.035 -0.984 . . . . 4.05 112.271 -177.508 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.4 12.6 57.05 Favored Glycine 0 N--CA 1.438 -1.197 0 N-CA-C 105.859 -2.896 . . . . 3.2 105.859 -173.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 16.8 m 75.05 -65.87 0.32 Allowed 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 112.393 -1.904 . . . . 2.97 111.526 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' N' ' 22' ' ' LYS . 62.0 t30 -173.18 -39.26 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.854 -0.424 . . . . 5.04 109.854 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 47.0 mtt 74.54 -43.78 0.54 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.223 -0.899 . . . . 7.18 110.357 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . 0.599 ' HD3' ' SG ' ' N' ' 26' ' ' CYS . 0.2 OUTLIER -90.47 173.61 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.638 -0.71 . . . . 6.03 109.359 178.522 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.498 ' HG2' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.7 77.84 2.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.303 0.573 . . . . 9.75 110.581 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.594 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.599 ' SG ' ' HD3' ' N' ' 22' ' ' LYS . 5.5 m -73.57 -22.15 60.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.77 0.795 . . . . 11.27 108.907 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -112.88 24.88 11.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.407 -1.27 . . . . 14.58 108.437 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.594 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 8.9 m -91.51 178.79 5.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.246 -1.343 . . . . 14.31 110.027 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -77.73 70.79 4.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.067 0.46 . . . . 17.11 110.722 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 50.2 mt -77.33 117.93 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.862 -0.608 . . . . 16.0 110.266 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -128.21 121.2 28.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.112 0.482 . . . . 20.04 111.194 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.83 -10.61 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.525 0.679 . . . . 21.31 109.457 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.111 -0.947 . . . . 23.87 110.669 179.615 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.805 H12A ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.798 ' H1 ' ' O11' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.798 ' O11' ' H1 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.48 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.449 -0.509 0 CA-C-O 121.293 0.568 . . . . 2.22 111.793 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.549 ' O ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.739 ' HG2' ' H62' ' L' ' 2' ' ' MUB . 29.1 mtpt . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 121.282 0.563 . . . . 4.01 111.289 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.753 HD11 H12A ' N' ' 35' ' ' FPP . 2.3 mt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.248 -0.279 . . . . 2.63 110.248 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mp -95.77 -29.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 107.74 -1.207 . . . . 1.97 107.74 176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.592 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.4 mp -91.91 74.23 5.64 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.803 -1.089 . . . . 2.21 108.874 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.707 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 7.7 m -61.84 103.17 0.32 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.957 . . . . 1.14 112.141 -178.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.414 ' O ' ' HG3' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.786 ' HG2' ' H51' ' N' ' 35' ' ' FPP . 2.0 Cg_endo -51.39 -39.26 63.9 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.12 1.88 . . . . 1.37 110.236 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.583 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -76.92 -15.67 81.44 Favored Glycine 0 N--CA 1.432 -1.6 0 CA-C-N 114.137 -1.392 . . . . 1.51 112.586 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 57.8 m -63.69 -23.06 67.22 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.904 0.859 . . . . 2.08 111.519 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.649 ' HE2' ' SD ' ' N' ' 17' ' ' MET . 0.0 OUTLIER -132.26 19.05 4.43 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 114.612 -1.177 . . . . 3.55 109.864 179.601 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.478 ' HG2' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' N' ' 12' ' ' LYS . . . -151.48 -153.33 6.16 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 119.814 -1.184 . . . . 2.82 114.559 -179.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.45 16.4 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.443 0.697 . . . . 3.83 111.427 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 1.6 mt -74.05 -11.45 60.33 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.953 -1.022 . . . . 3.51 109.495 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.649 ' SD ' ' HE2' ' N' ' 12' ' ' LYS . 0.0 OUTLIER -156.02 -44.07 0.08 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.477 0.656 . . . . 4.05 112.339 -178.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . 0.596 ' HA3' ' HG3' ' N' ' 21' ' ' MET . . . 102.83 8.32 42.69 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 107.445 -2.262 . . . . 3.2 107.445 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.441 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 99.5 m 75.01 -24.27 0.22 Allowed 'General case' 0 C--N 1.341 0.233 0 CA-C-N 113.135 -1.532 . . . . 2.97 111.039 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.46 ' H ' ' C ' ' N' ' 18' ' ' GLY . 1.6 t-20 -172.07 -68.37 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.581 . . . . 5.04 109.924 177.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 21' ' ' MET . . . . . 0.596 ' HG3' ' HA3' ' N' ' 18' ' ' GLY . 47.7 mtp 63.39 18.61 11.15 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.083 -0.508 . . . . 7.18 111.923 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -79.51 139.48 37.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.048 -0.524 . . . . 6.03 110.139 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.34 102.18 3.64 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.698 -0.683 . . . . 9.75 111.795 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.548 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 5.1 m -79.86 -29.01 39.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.802 -1.184 . . . . 11.27 107.802 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -103.05 22.77 13.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.933 -1.485 . . . . 14.58 108.067 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.548 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 1.2 m -67.32 157.42 34.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.457 -1.247 . . . . 14.31 110.488 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.29 98.6 1.07 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.383 -0.371 . . . . 17.11 110.55 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 39.8 mt -77.58 127.63 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.629 -0.508 . . . . 16.0 109.629 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -81.49 139.69 35.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.015 -0.539 . . . . 20.04 111.059 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 9.2 t -78.16 112.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.728 -0.669 . . . . 21.31 109.809 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp . . . . . 0 C--O 1.246 0.903 0 CA-C-O 117.377 -1.297 . . . . 23.87 108.608 -179.717 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.786 ' H51' ' HG2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.901 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.901 ' O3 ' ' H1 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.442 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 112.546 0.573 . . . . 2.22 112.546 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' L' ' 5' ' ' LYS . 4.1 mtpt . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 121.141 0.496 . . . . 4.01 112.124 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.712 HG23 ' O1B' ' N' ' 35' ' ' FPP . 1.5 mp . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.862 -0.421 . . . . 2.63 109.862 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mp -108.39 -22.91 4.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.548 -1.279 . . . . 1.97 107.548 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.567 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 1.2 mp -90.0 71.6 7.45 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.868 -1.06 . . . . 2.21 109.397 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 8.9 m -66.78 103.38 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 1.14 112.42 -178.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.438 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 2.7 Cg_endo -50.97 -43.95 44.77 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.854 1.703 . . . . 1.37 109.757 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.843 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -66.25 -26.22 72.52 Favored Glycine 0 N--CA 1.432 -1.632 0 CA-C-N 113.752 -1.567 . . . . 1.51 111.974 178.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 m -59.72 -27.75 66.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.537 0.684 . . . . 2.08 110.704 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.706 ' HA ' HD13 ' N' ' 16' ' ' LEU . 1.9 mmmt -120.79 20.13 11.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.865 -1.061 . . . . 3.55 109.393 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.473 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.84 -143.12 3.63 Favored Glycine 0 N--CA 1.434 -1.467 0 C-N-CA 120.729 -0.748 . . . . 2.82 113.159 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.27 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.184 0.516 . . . . 3.83 110.815 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' N' ' 12' ' ' LYS . 6.0 mt -73.28 -28.64 62.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.868 . . . . 3.51 110.135 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.83 -66.27 0.68 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.537 0.684 . . . . 4.05 110.665 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.65 -18.7 4.56 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 109.756 -1.337 . . . . 3.2 109.756 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.435 ' HB3' ' HG1' ' N' ' 13' ' ' DBB . 2.6 m 59.43 40.43 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.419 -0.89 . . . . 2.97 112.106 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -83.05 -97.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.572 -0.285 . . . . 5.04 110.619 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 92.2 mtp 63.29 4.64 1.72 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.099 0.56 . . . . 7.18 112.339 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -91.48 164.76 13.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.36 -0.382 . . . . 6.03 110.764 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.455 ' HG2' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.82 57.44 2.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.46 0.647 . . . . 9.75 109.867 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.41 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.455 ' HB2' ' HG2' ' N' ' 23' ' ' DBB . 10.2 m -65.15 -29.53 70.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.419 -0.81 . . . . 11.27 110.256 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -120.79 30.97 6.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.134 -0.939 . . . . 14.58 108.563 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 3.8 m -85.93 -177.89 6.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.821 -1.081 . . . . 14.31 110.727 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 68.2 m -122.57 41.63 3.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.337 0.589 . . . . 17.11 110.692 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . 0.402 HG13 ' HB3' ' N' ' 28' ' ' CYS . 6.3 mt -86.91 49.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.433 0.635 . . . . 16.0 110.012 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -152.99 120.65 6.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 20.04 110.182 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -119.09 109.79 27.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.402 -0.363 . . . . 21.31 110.296 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' N' ' 34' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.102 -0.951 . . . . 23.87 109.259 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.843 H12A ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.84 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.961 ' H4A' ' H ' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.961 ' H ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.363 0.601 . . . . 2.22 109.929 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.717 ' HA ' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.92 ' HA ' ' HE3' ' L' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 112.395 0.517 . . . . 4.01 112.395 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . 0.407 ' H ' ' CD ' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.607 HG23 ' H1 ' ' L' ' 2' ' ' MUB . 1.1 mm . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.519 -0.548 . . . . 2.63 109.519 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.506 HD13 ' HN2' ' L' ' 2' ' ' MUB . 12.1 mt -107.89 -30.85 2.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 107.708 -1.219 . . . . 1.97 107.708 177.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.686 HD12 ' H52' ' N' ' 35' ' ' FPP . 0.1 OUTLIER -86.2 76.58 9.71 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.75 -1.113 . . . . 2.21 108.818 178.552 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.492 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 37.0 m -67.18 107.38 2.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.367 -0.833 . . . . 1.14 113.174 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.499 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.545 ' HG2' HD13 ' N' ' 6' ' ' LEU . 6.9 Cg_endo -52.61 -46.56 32.52 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.885 1.723 . . . . 1.37 110.235 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.775 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -68.7 -15.58 68.96 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 114.479 -1.237 . . . . 1.51 112.517 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 32.0 m -66.94 -27.19 67.27 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.346 0.593 . . . . 2.08 110.89 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' N' ' 16' ' ' LEU . 1.2 mmmm -116.66 5.45 13.21 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.095 -0.957 . . . . 3.55 109.948 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.413 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -159.85 -143.76 3.76 Favored Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 119.577 -1.296 . . . . 2.82 114.553 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.73 28.51 0.13 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.809 0.814 . . . . 3.83 110.616 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.5 OUTLIER -123.94 6.36 8.66 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.57 -1.195 . . . . 3.51 108.699 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.452 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -174.22 -28.53 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.303 -0.862 . . . . 4.05 112.089 -178.716 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.28 18.6 79.14 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 107.28 -2.328 . . . . 3.2 107.28 -174.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 46.5 m 64.22 70.08 0.51 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 112.98 -1.61 . . . . 2.97 110.349 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.696 ' HB3' ' HG2' ' N' ' 22' ' ' LYS . 24.7 m-80 -128.41 -68.79 0.75 Allowed 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 113.687 -1.597 . . . . 5.04 110.428 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 59.9 mtm 65.8 17.96 11.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.576 -0.738 . . . . 7.18 110.78 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . 0.696 ' HG2' ' HB3' ' N' ' 20' ' ' ASN . 15.8 ptmt -91.31 167.92 11.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.265 -0.88 . . . . 6.03 110.412 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.32 65.7 6.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.14 0.495 . . . . 9.75 111.941 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.625 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.38 -33.86 69.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.755 0.788 . . . . 11.27 108.876 178.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -100.86 14.46 31.71 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.414 -1.266 . . . . 14.58 109.583 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.625 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 4.9 m -75.26 153.52 37.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.781 -1.099 . . . . 14.31 110.678 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.84 110.3 3.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.283 -0.417 . . . . 17.11 110.723 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mt -84.73 125.8 40.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.97 0.414 . . . . 16.0 109.9 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -77.23 163.0 26.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 20.04 111.124 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -84.4 3.61 3.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.506 . . . . 21.31 111.911 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.914 -1.041 . . . . 23.87 109.065 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.775 H12A ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.952 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.952 ' O3 ' ' H1 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.684 0 CA-C-O 121.041 0.448 . . . . 2.22 111.937 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.732 ' O ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 120.965 0.412 . . . . 4.01 111.044 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.733 HD11 H12A ' N' ' 35' ' ' FPP . 1.3 mt . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.054 -0.351 . . . . 2.63 110.054 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.4 HD11 ' HN2' ' L' ' 2' ' ' MUB . 4.2 mp -110.36 -29.69 2.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.927 -1.138 . . . . 1.97 107.927 177.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.507 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.4 mp -97.76 70.47 2.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.2 -0.909 . . . . 2.21 109.084 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.686 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 7.7 m -62.71 105.46 0.66 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.172 -0.922 . . . . 1.14 112.328 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.432 ' O ' ' HG2' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.751 ' HG2' ' H51' ' N' ' 35' ' ' FPP . 4.2 Cg_exo -50.07 -39.75 50.67 Favored 'Trans proline' 0 CA--C 1.512 -0.592 0 C-N-CA 121.64 1.56 . . . . 1.37 110.434 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.463 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -76.8 -12.8 84.22 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 114.128 -1.396 . . . . 1.51 112.633 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . 0.471 ' N ' HD12 ' N' ' 1' ' ' ILE . 60.4 m -66.83 -23.35 66.03 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.33 0.586 . . . . 2.08 110.744 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 0.1 OUTLIER -131.82 1.09 3.96 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.985 -1.007 . . . . 3.55 111.115 179.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.527 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.536 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -173.72 -139.23 2.86 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.074 -1.06 . . . . 2.82 113.178 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.6 37.21 0.22 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.422 1.106 . . . . 3.83 110.122 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.536 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.0 OUTLIER -135.04 11.74 3.6 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 113.598 -1.637 . . . . 3.51 108.373 -178.559 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.41 ' HE1' ' HE2' ' N' ' 12' ' ' LYS . 0.4 OUTLIER 175.46 -34.28 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.335 -0.848 . . . . 4.05 111.708 -178.718 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.49 18.3 68.97 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 107.039 -2.424 . . . . 3.2 107.039 -174.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m 63.64 56.39 1.57 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 113.158 -1.521 . . . . 2.97 109.454 -177.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' N' ' 21' ' ' MET . 0.8 OUTLIER -80.76 -35.92 32.63 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 113.883 -1.508 . . . . 5.04 111.394 -179.459 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' N' N ' 21' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 89.8 mtp 76.41 -28.66 0.18 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.87 0.868 . . . . 7.18 112.318 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -68.86 133.28 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.745 0.307 . . . . 6.03 110.36 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.19 94.75 1.19 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.632 -0.713 . . . . 9.75 112.183 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.618 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 37.6 m -76.49 -24.7 53.79 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.746 -0.835 . . . . 11.27 108.746 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -109.1 24.44 13.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.55 -1.204 . . . . 14.58 108.474 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.618 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 1.5 m -79.33 172.24 14.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.46 -1.245 . . . . 14.31 111.164 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -80.28 50.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.042 -0.526 . . . . 17.11 110.698 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 54.8 mt -68.73 122.42 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 16.0 110.052 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -128.72 153.11 47.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.301 -0.409 . . . . 20.04 111.271 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 m -97.97 -5.86 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.593 0.711 . . . . 21.31 109.123 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.638 -0.696 . . . . 23.87 109.308 -179.874 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.751 ' H51' ' HG2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.728 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.734 H113 HD11 ' N' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.409 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.991 0.424 . . . . 2.22 111.915 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.698 ' OXT' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . 0.508 ' HD3' ' H5 ' ' L' ' 2' ' ' MUB . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 120.979 0.419 . . . . 4.01 111.146 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.942 HG22 ' O1 ' ' N' ' 35' ' ' FPP . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.25 -0.278 . . . . 2.63 110.25 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . 0.429 ' HB1' HD12 ' N' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.734 HD11 H113 ' L' ' 2' ' ' MUB . 4.8 mp -104.92 -27.38 3.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 107.599 -1.26 . . . . 1.97 107.599 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.66 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.2 OUTLIER -86.02 73.85 10.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.862 -0.792 . . . . 2.21 108.862 178.519 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . 0.723 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 9.0 m -61.73 112.89 2.45 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.818 0.673 . . . . 1.14 112.818 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.446 ' O ' ' HB2' ' N' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.801 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 3.8 Cg_exo -55.71 -42.1 70.91 Favored 'Trans proline' 0 CA--C 1.509 -0.766 0 C-N-CA 121.567 1.512 . . . . 1.37 109.937 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.57 -12.56 77.63 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 113.879 -1.509 . . . . 1.51 112.051 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . 0.484 ' N ' HD12 ' N' ' 1' ' ' ILE . 61.3 m -66.88 -29.73 69.71 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.624 0.726 . . . . 2.08 110.206 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' N' ' 16' ' ' LEU . 0.5 OUTLIER -109.46 5.94 23.77 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.638 -1.164 . . . . 3.55 109.521 178.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.429 ' HG2' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -157.76 -145.84 4.34 Favored Glycine 0 N--CA 1.439 -1.154 0 C-N-CA 120.271 -0.966 . . . . 2.82 113.677 -178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.18 28.35 0.19 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.546 0.688 . . . . 3.83 110.979 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' N' ' 12' ' ' LYS . 4.5 mt -113.78 -28.0 7.59 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.947 -1.024 . . . . 3.51 108.972 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 17' ' ' MET . . . . . 0.507 ' SD ' ' HG2' ' N' ' 21' ' ' MET . 38.6 mtt -143.1 -12.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.229 -0.896 . . . . 4.05 111.921 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.63 14.08 64.36 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.744 -1.342 . . . . 3.2 109.744 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . 0.429 ' HA ' ' HG2' ' N' ' 13' ' ' DBB . 84.2 m 61.13 25.92 15.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 114.242 -0.979 . . . . 2.97 110.236 -177.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . 0.433 ' HB3' ' HG3' ' N' ' 22' ' ' LYS . 6.4 t-20 -136.89 -13.38 1.66 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.469 -0.787 . . . . 5.04 111.471 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 21' ' ' MET . . . . . 0.507 ' HG2' ' SD ' ' N' ' 17' ' ' MET . 63.3 mtt 70.87 -1.49 2.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.244 0.617 . . . . 7.18 112.53 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . 0.433 ' HG3' ' HB3' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -90.38 158.95 16.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.764 0.316 . . . . 6.03 110.959 -179.65 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . 0.406 ' HG2' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 62.62 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.499 . . . . 9.75 110.649 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.523 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . 0.406 ' HB2' ' HG2' ' N' ' 23' ' ' DBB . 2.3 m -73.45 -26.02 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.708 0.766 . . . . 11.27 109.02 178.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -111.06 21.27 16.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.803 -1.089 . . . . 14.58 109.107 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.523 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 5.3 m -82.08 134.24 35.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.537 -1.211 . . . . 14.31 110.555 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.76 68.95 5.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.206 0.527 . . . . 17.11 110.91 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . 0.683 HG21 ' HB1' ' N' ' 33' ' ' DHA . 33.7 mt -81.62 102.77 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.592 -0.731 . . . . 16.0 109.709 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -95.08 -71.87 0.65 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.897 -0.592 . . . . 20.04 110.701 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.48 -13.45 11.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.196 -0.911 . . . . 21.31 110.636 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . 0.683 ' HB1' HG21 ' N' ' 30' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? . . . . . 0 C--N 1.316 -0.889 0 CA-C-O 117.869 -1.062 . . . . 23.87 109.147 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.942 ' O1 ' HG22 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 1' ' ' NAG . . . . . 0.896 ' H1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 2' ' ' MUB . . . . . 0.991 ' H4A' ' N ' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 3' ' ' ALA . . . . . 0.991 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 120.308 0.099 . . . . 2.22 111.222 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 4' ' ' FGA . . . . . 0.729 ' HG2' ' O ' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 109.613 -0.514 . . . . 4.01 109.613 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' N' N ' 1' ' ' ILE . . . . . 0.565 HG21 ' HB3' ' L' ' 3' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.063 -0.347 . . . . 2.63 110.063 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 2' ' ' DBU . . . . . 0.467 ' HG2' ' O11' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.676 ' HB ' ' H83' ' L' ' 2' ' ' MUB . 22.5 mt -105.96 -37.47 4.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 107.992 -1.114 . . . . 1.97 107.992 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.73 HD13 ' H62' ' N' ' 35' ' ' FPP . 15.0 mt -89.15 74.3 8.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.096 -0.956 . . . . 2.21 109.638 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 45.7 m -66.03 97.78 0.39 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.485 -0.779 . . . . 1.14 113.07 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 8' ' ' DBB . . . . . 0.474 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.581 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.5 Cg_endo -53.01 -45.73 39.02 Favored 'Trans proline' 0 CA--C 1.511 -0.648 0 C-N-CA 121.411 1.407 . . . . 1.37 109.99 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 10' ' ' GLY . . . . . 0.912 ' HA3' H12A ' N' ' 35' ' ' FPP . . . -66.9 -16.43 66.18 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.77 -1.105 . . . . 1.51 112.244 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 m -70.28 -26.19 63.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.145 0.498 . . . . 2.08 111.404 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 3.4 mmmt -126.75 10.95 7.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.518 -0.765 . . . . 3.55 110.565 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 13' ' ' DBB . . . . . 0.559 ' HG1' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 14' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -170.96 -143.8 4.13 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.23 -0.986 . . . . 2.82 113.715 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.86 29.7 0.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.856 0.836 . . . . 3.83 110.366 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 16' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER -123.53 8.17 8.95 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.377 -1.283 . . . . 3.51 108.196 -179.47 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.47 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.993 -1.003 . . . . 4.05 111.53 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.03 7.05 51.01 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 108.947 -1.661 . . . . 3.2 108.947 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 94.3 m 65.31 62.64 0.68 Allowed 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 113.829 -1.186 . . . . 2.97 111.274 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.42 -57.45 0.58 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.31 -1.314 . . . . 5.04 113.232 178.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 44.0 mtt 60.4 46.22 10.13 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.594 0.712 . . . . 7.18 110.3 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -88.76 140.8 29.08 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.005 -0.998 . . . . 6.03 111.362 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.68 74.16 8.69 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.673 0.62 . . . . 9.75 112.673 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 25' ' ' DBB . . . . . 0.623 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.61 -37.54 70.91 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.748 -0.834 . . . . 11.27 108.748 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -97.87 18.88 14.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.61 -1.177 . . . . 14.58 109.562 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 28' ' ' CYS . . . . . 0.623 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 2.3 m -76.8 137.58 39.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.82 -1.082 . . . . 14.31 110.336 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -82.17 61.02 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.228 0.537 . . . . 17.11 111.008 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 43.2 mt -79.14 123.93 36.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.672 -0.695 . . . . 16.0 109.915 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -106.04 151.03 25.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.087 -0.506 . . . . 20.04 111.284 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -107.08 97.38 5.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.891 -0.595 . . . . 21.31 110.182 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.708 -0.663 . . . . 23.87 110.261 179.572 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' N' N ' 35' ' ' FPP . . . . . 0.912 H12A ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.536 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.948 -0.76 . . . . 1.66 108.948 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.26 -0.882 . . . . 1.11 112.577 -178.56 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.536 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 5.4 Cg_endo . . . . . 0 CA--C 1.511 -0.652 0 N-CA-C 110.19 -0.735 . . . . 1.37 110.19 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.93 -13.33 69.54 Favored Glycine 0 N--CA 1.433 -1.525 0 CA-C-N 115.062 -0.972 . . . . 1.51 111.933 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.38 -28.55 68.73 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.166 0.508 . . . . 2.08 111.429 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.315 -0.896 0 CA-C-N 115.855 -0.612 . . . . 3.21 112.156 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.101 0 N-CA-C 115.29 0.876 . . . . 2.82 115.29 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.32 -6.64 3.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.391 0.676 . . . . 3.58 111.814 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.444 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 1.5 mt . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 115.179 -0.919 . . . . 3.27 109.717 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.0 mp . . . . . 0 N--CA 1.444 -0.762 0 N-CA-C 109.101 -0.703 . . . . 1.66 109.101 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.228 -0.896 . . . . 1.11 111.927 -178.923 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.526 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 1.2 Cg_endo . . . . . 0 CA--C 1.512 -0.586 0 CA-C-O 121.921 0.717 . . . . 1.37 110.427 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.5 -12.86 81.28 Favored Glycine 0 N--CA 1.431 -1.641 0 CA-C-N 114.406 -1.27 . . . . 1.51 112.727 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 75.8 m -58.36 -39.33 79.27 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.101 0.477 . . . . 2.08 111.726 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.311 -1.095 0 CA-C-N 115.419 -0.809 . . . . 3.21 111.138 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.169 0 N-CA-C 113.499 0.16 . . . . 2.82 113.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -1.94 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.652 0.739 . . . . 3.58 110.944 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.312 -1.025 0 CA-C-N 114.704 -1.135 . . . . 3.27 110.223 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.699 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 108.381 -0.97 . . . . 1.66 108.381 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.986 -0.552 . . . . 1.11 112.251 -178.921 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.699 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 5.5 Cg_exo . . . . . 0 CA--C 1.508 -0.806 0 N-CA-C 109.574 -0.972 . . . . 1.37 109.574 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -12.98 70.46 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 114.036 -1.438 . . . . 1.51 112.447 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 56.6 m -69.16 -26.23 64.76 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.442 0.639 . . . . 2.08 110.412 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt . . . . . 0 C--N 1.315 -0.928 0 CA-C-N 114.834 -1.076 . . . . 3.21 110.592 179.583 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.502 0 N-CA-C 114.392 0.517 . . . . 2.82 114.392 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.46 -15.94 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.444 0.64 . . . . 3.58 110.647 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 5.0 mt . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 114.92 -1.036 . . . . 3.27 111.059 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.633 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.6 OUTLIER . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 108.889 -0.782 . . . . 1.66 108.889 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 1.11 112.566 -178.829 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.633 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.6 Cg_endo . . . . . 0 CA--C 1.511 -0.648 0 CA-C-O 121.802 0.668 . . . . 1.37 110.378 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.11 -10.74 77.65 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 114.76 -1.109 . . . . 1.51 111.431 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.99 -37.73 81.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.156 0.503 . . . . 2.08 111.865 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 115.876 -0.602 . . . . 3.21 111.264 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.398 0 N-CA-C 114.748 0.659 . . . . 2.82 114.748 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.31 -15.56 57.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.383 0.611 . . . . 3.58 111.37 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' N' ' 12' ' ' LYS . 2.9 mt . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.139 -0.937 . . . . 3.27 110.897 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.474 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.539 0 N-CA-C 109.983 -0.377 . . . . 1.66 109.983 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 113.01 0.745 . . . . 1.11 113.01 -177.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.474 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 4.8 Cg_exo . . . . . 0 CA--C 1.507 -0.866 0 N-CA-C 109.213 -1.111 . . . . 1.37 109.213 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.11 -17.19 67.65 Favored Glycine 0 N--CA 1.431 -1.636 0 CA-C-N 113.749 -1.569 . . . . 1.51 112.153 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 58.9 m -65.96 -28.47 68.93 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.926 0.87 . . . . 2.08 110.448 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.31 -1.143 0 CA-C-N 114.28 -1.327 . . . . 3.21 109.119 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.871 0 N-CA-C 115.267 0.867 . . . . 2.82 115.267 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.07 -2.31 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.513 0.673 . . . . 3.58 110.611 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.129 -0.941 . . . . 3.27 109.125 179.614 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.625 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.9 mp . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 108.192 -1.04 . . . . 1.66 108.192 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 114.43 -1.259 . . . . 1.11 113.103 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.625 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.0 Cg_endo . . . . . 0 CA--C 1.512 -0.577 0 CA-C-O 121.968 0.737 . . . . 1.37 110.491 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.42 -14.35 81.55 Favored Glycine 0 N--CA 1.434 -1.495 0 CA-C-N 114.386 -1.279 . . . . 1.51 111.749 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 38.0 m -68.78 -37.46 79.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.269 0.557 . . . . 2.08 111.152 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.311 -1.106 0 CA-C-N 115.381 -0.827 . . . . 3.21 110.177 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.057 0 N-CA-C 113.647 0.219 . . . . 2.82 113.647 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.17 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 3.58 111.522 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 115.307 -0.861 . . . . 3.27 109.769 178.798 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.613 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 108.857 -0.794 . . . . 1.66 108.857 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 114.182 1.179 . . . . 1.11 114.182 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo . . . . . 0 CA--C 1.517 -0.345 0 N-CA-C 110.386 -0.659 . . . . 1.37 110.386 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.4 -15.08 80.44 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.655 -1.157 . . . . 1.51 111.86 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 m -66.49 -26.13 67.03 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.462 0.648 . . . . 2.08 110.351 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' N' ' 16' ' ' LEU . 4.1 mmmt . . . . . 0 C--N 1.31 -1.111 0 CA-C-N 114.518 -1.219 . . . . 3.21 109.382 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.038 0 CA-C-O 120.3 -0.166 . . . . 2.82 112.839 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.25 -3.71 28.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.343 0.592 . . . . 3.58 110.593 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' N' ' 12' ' ' LYS . 4.4 mt . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 3.27 109.699 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.522 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.295 -0.631 . . . . 1.66 109.295 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.577 -0.738 . . . . 1.11 112.467 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.522 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 5.5 Cg_endo . . . . . 0 CA--C 1.508 -0.806 0 N-CA-C 110.82 -0.492 . . . . 1.37 110.82 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.71 -24.24 66.12 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.727 -1.124 . . . . 1.51 111.969 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -70.1 -20.37 63.2 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.599 0.714 . . . . 2.08 110.388 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.5 mmmt . . . . . 0 C--N 1.317 -0.821 0 CA-C-N 114.712 -1.131 . . . . 3.21 109.124 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 14' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.443 -0.877 0 N-CA-C 113.98 0.352 . . . . 2.82 113.98 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.02 21.81 0.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.993 0.901 . . . . 3.58 110.02 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.315 -0.903 0 CA-C-N 114.338 -1.301 . . . . 3.27 109.169 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.666 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.051 -0.722 . . . . 1.66 109.051 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.875 -0.602 . . . . 1.11 112.035 -179.242 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.666 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 6.3 Cg_exo . . . . . 0 CA--C 1.511 -0.67 0 N-CA-C 109.963 -0.822 . . . . 1.37 109.963 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.08 -14.51 76.32 Favored Glycine 0 N--CA 1.431 -1.633 0 CA-C-N 113.727 -1.579 . . . . 1.51 112.447 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 11' ' ' CYS . . . . . 0.461 ' O ' HD12 ' N' ' 16' ' ' LEU . 62.2 m -64.32 -32.03 73.47 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.706 0.765 . . . . 2.08 110.419 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt . . . . . 0 C--N 1.309 -1.193 0 CA-C-N 114.779 -1.101 . . . . 3.21 109.995 179.44 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.366 0 N-CA-C 113.805 0.282 . . . . 2.82 113.805 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -10.21 48.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.329 0.585 . . . . 3.58 111.344 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.461 HD12 ' O ' ' N' ' 11' ' ' CYS . 3.1 mt . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.317 -0.856 . . . . 3.27 109.887 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.578 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.5 mp . . . . . 0 N--CA 1.439 -0.983 0 N-CA-C 108.797 -0.816 . . . . 1.66 108.797 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.319 -0.734 0 CA-C-N 115.642 -0.708 . . . . 1.11 112.839 -179.178 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.578 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 9.5 Cg_endo . . . . . 0 CA--C 1.515 -0.436 0 CA-C-O 121.607 0.586 . . . . 1.37 110.685 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.44 -6.76 87.28 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.238 -0.892 . . . . 1.51 111.749 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 20.4 m -78.82 -34.43 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 112.088 0.403 . . . . 2.08 112.088 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.8 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 116.212 -0.449 . . . . 3.21 111.411 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.205 0 N-CA-C 113.366 0.106 . . . . 2.82 113.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -0.01 12.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.68 0.753 . . . . 3.58 110.768 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' N' ' 12' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.317 -0.833 0 CA-C-N 114.586 -1.188 . . . . 3.27 110.29 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.572 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 108.593 -0.892 . . . . 1.66 108.593 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 23.8 m . . . . . 0 C--N 1.319 -0.737 0 N-CA-C 113.318 0.859 . . . . 1.11 113.318 -178.495 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.572 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.0 Cg_endo . . . . . 0 CA--C 1.51 -0.72 0 CA-C-O 121.42 0.508 . . . . 1.37 111.191 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.37 -23.23 71.69 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 114.292 -1.322 . . . . 1.51 112.487 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.26 -23.13 66.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.881 0.848 . . . . 2.08 110.348 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.668 0 CA-C-N 114.513 -1.222 . . . . 3.21 109.325 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 14' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.439 -1.106 0 N-CA-C 114.532 0.573 . . . . 2.82 114.532 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.07 28.2 0.09 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.964 0.887 . . . . 3.58 110.661 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.009 0 CA-C-N 114.329 -1.305 . . . . 3.27 108.35 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.7 mp . . . . . 0 N--CA 1.442 -0.834 0 N-CA-C 109.128 -0.693 . . . . 1.66 109.128 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 29.0 m . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.039 -0.982 . . . . 1.11 113.003 -178.569 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.577 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.4 Cg_endo . . . . . 0 CA--C 1.513 -0.553 0 N-CA-C 109.592 -0.965 . . . . 1.37 109.592 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.69 -22.07 73.31 Favored Glycine 0 N--CA 1.436 -1.315 0 CA-C-N 114.329 -1.305 . . . . 1.51 112.054 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 m -63.31 -28.48 70.04 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.414 0.626 . . . . 2.08 110.636 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.772 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.9 mmmm . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 114.962 -1.017 . . . . 3.21 109.629 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.103 0 N-CA-C 112.783 -0.127 . . . . 2.82 112.783 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.24 1.32 9.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.62 0.724 . . . . 3.58 110.683 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' N' ' 12' ' ' LYS . 1.3 mt . . . . . 0 C--N 1.318 -0.77 0 CA-C-N 115.097 -0.956 . . . . 3.27 110.412 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 6.3 mt . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 109.703 -0.48 . . . . 1.66 109.703 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.492 -0.776 . . . . 1.11 112.142 -178.562 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.51 -0.691 0 N-CA-C 109.77 -0.896 . . . . 1.37 109.77 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.96 -18.37 78.84 Favored Glycine 0 N--CA 1.429 -1.768 0 CA-C-N 114.042 -1.436 . . . . 1.51 112.078 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.2 m -61.27 -31.62 71.43 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.747 0.784 . . . . 2.08 111.227 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.306 -1.297 0 CA-C-N 114.752 -1.113 . . . . 3.21 109.402 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.117 0 N-CA-C 115.693 1.037 . . . . 2.82 115.693 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.95 -29.92 7.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.821 -1.19 . . . . 3.58 109.322 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 13.7 mt . . . . . 0 CA--C 1.506 -0.736 0 N-CA-C 107.801 -1.185 . . . . 3.27 107.801 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.616 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 2.6 mp . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.929 -0.767 . . . . 1.66 108.929 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.593 -1.185 . . . . 1.11 113.604 -178.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.616 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo . . . . . 0 CA--C 1.512 -0.603 0 N-CA-C 110.115 -0.764 . . . . 1.37 110.115 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.7 -26.21 74.63 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.896 -1.047 . . . . 1.51 111.154 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 m -62.56 -28.5 69.91 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.029 0.918 . . . . 2.08 109.939 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.2 mmmm . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 114.146 -1.388 . . . . 3.21 108.257 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 14' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.432 -1.604 0 N-CA-C 115.041 0.777 . . . . 2.82 115.041 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.16 29.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.896 0.855 . . . . 3.58 111.04 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' N' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.31 -1.111 0 CA-C-N 114.138 -1.392 . . . . 3.27 107.924 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.59 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.4 mp . . . . . 0 N--CA 1.442 -0.845 0 N-CA-C 108.874 -0.788 . . . . 1.66 108.874 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.957 . . . . 1.11 112.141 -178.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.59 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 2.0 Cg_endo . . . . . 0 CA--C 1.511 -0.635 0 CA-C-O 122.077 0.782 . . . . 1.37 110.236 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.92 -15.67 81.44 Favored Glycine 0 N--CA 1.432 -1.6 0 CA-C-N 114.137 -1.392 . . . . 1.51 112.586 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 57.8 m -63.69 -23.06 67.22 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.904 0.859 . . . . 2.08 111.519 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.496 0 CA-C-N 114.612 -1.177 . . . . 3.21 109.864 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.021 0 N-CA-C 114.559 0.584 . . . . 2.82 114.559 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.45 16.4 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.443 0.697 . . . . 3.58 111.427 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 1.6 mt . . . . . 0 C--N 1.316 -0.871 0 CA-C-N 114.953 -1.022 . . . . 3.27 109.495 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.565 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 1.2 mp . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 109.397 -0.594 . . . . 1.66 109.397 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 1.11 112.42 -178.887 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.565 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 2.7 Cg_endo . . . . . 0 CA--C 1.511 -0.635 0 N-CA-C 109.757 -0.901 . . . . 1.37 109.757 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.25 -26.22 72.52 Favored Glycine 0 N--CA 1.432 -1.632 0 CA-C-N 113.752 -1.567 . . . . 1.51 111.974 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 m -59.72 -27.75 66.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.537 0.684 . . . . 2.08 110.704 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.9 mmmt . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 114.865 -1.061 . . . . 3.21 109.393 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.467 0 CA-C-O 120.692 0.051 . . . . 2.82 113.159 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.27 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.184 0.516 . . . . 3.58 110.815 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' N' ' 12' ' ' LYS . 6.0 mt . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.868 . . . . 3.27 110.135 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.588 HD12 ' HG2' ' N' ' 9' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.651 0 N-CA-C 108.818 -0.808 . . . . 1.66 108.818 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.367 -0.833 . . . . 1.11 113.174 -178.643 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.588 ' HG2' HD12 ' N' ' 6' ' ' LEU . 6.9 Cg_endo . . . . . 0 CA--C 1.513 -0.532 0 N-CA-C 110.235 -0.717 . . . . 1.37 110.235 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.7 -15.58 68.96 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 114.479 -1.237 . . . . 1.51 112.517 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 32.0 m -66.94 -27.19 67.27 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.346 0.593 . . . . 2.08 110.89 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.2 mmmm . . . . . 0 C--N 1.313 -0.981 0 CA-C-N 115.095 -0.957 . . . . 3.21 109.948 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 14' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.436 -1.33 0 N-CA-C 114.553 0.581 . . . . 2.82 114.553 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.73 28.51 0.13 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.809 0.814 . . . . 3.58 110.616 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.313 -0.999 0 CA-C-N 114.57 -1.195 . . . . 3.27 108.699 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.5 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.4 mp . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 109.084 -0.71 . . . . 1.66 109.084 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.172 -0.922 . . . . 1.11 112.328 -178.762 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.5 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 4.2 Cg_exo . . . . . 0 CA--C 1.512 -0.592 0 CA-C-O 122.139 0.808 . . . . 1.37 110.434 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.8 -12.8 84.22 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 114.128 -1.396 . . . . 1.51 112.633 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.83 -23.35 66.03 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.33 0.586 . . . . 2.08 110.744 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' N' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 114.985 -1.007 . . . . 3.21 111.115 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' N' N ' 14' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.441 -1.015 0 CA-C-O 120.219 -0.212 . . . . 2.82 113.178 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.6 37.21 0.22 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.422 1.106 . . . . 3.58 110.122 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.312 -1.025 0 CA-C-N 113.598 -1.637 . . . . 3.27 108.373 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.68 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.431 0 N-CA-C 108.862 -0.792 . . . . 1.66 108.862 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.321 -0.674 0 N-CA-C 112.818 0.673 . . . . 1.11 112.818 -178.879 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.68 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.8 Cg_exo . . . . . 0 CA--C 1.509 -0.766 0 N-CA-C 109.937 -0.832 . . . . 1.37 109.937 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.57 -12.56 77.63 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 113.879 -1.509 . . . . 1.51 112.051 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 61.3 m -66.88 -29.73 69.71 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.624 0.726 . . . . 2.08 110.206 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.311 -1.095 0 CA-C-N 114.638 -1.164 . . . . 3.21 109.521 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' N' N ' 14' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.439 -1.154 0 N-CA-C 113.677 0.231 . . . . 2.82 113.677 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.18 28.35 0.19 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.546 0.688 . . . . 3.58 110.979 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' N' ' 12' ' ' LYS . 4.5 mt . . . . . 0 C--N 1.316 -0.885 0 CA-C-N 114.947 -1.024 . . . . 3.27 108.972 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 15.0 mt . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 109.638 -0.504 . . . . 1.66 109.638 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 45.7 m . . . . . 0 C--N 1.318 -0.78 0 CA-C-N 115.485 -0.779 . . . . 1.11 113.07 -178.78 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.573 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.5 Cg_endo . . . . . 0 CA--C 1.511 -0.648 0 N-CA-C 109.99 -0.812 . . . . 1.37 109.99 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.9 -16.43 66.18 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.77 -1.105 . . . . 1.51 112.244 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 m -70.28 -26.19 63.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.145 0.498 . . . . 2.08 111.404 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 12' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' N' ' 12' ' ' LYS . 3.4 mmmt . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.518 -0.765 . . . . 3.21 110.565 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 14' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.44 -1.057 0 N-CA-C 113.715 0.246 . . . . 2.82 113.715 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.86 29.7 0.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.856 0.836 . . . . 3.58 110.366 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 16' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.311 -1.094 0 CA-C-N 114.377 -1.283 . . . . 3.27 108.196 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.633 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.826 ' O6 ' ' H1 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 112.228 0.455 . . . . 2.22 112.228 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.598 ' OXT' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.53 ' HG3' ' H81' ' L' ' 1' ' ' NAG . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 113.423 0.898 . . . . 3.55 113.423 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 6' ' ' DAL . . . . . 0.634 ' HB1' HD11 ' N' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 7' ' ' DAL . . . . . 0.624 ' HB2' ' HA2' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.62 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.288 -0.634 . . . . 2.1 109.288 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.733 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 2.9 mp -110.22 -20.67 6.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 107.462 -1.31 . . . . 1.54 107.462 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.741 HD13 ' H51' ' N' ' 35' ' ' FPP . 0.2 OUTLIER -93.41 71.79 4.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.408 -0.814 . . . . 1.66 108.948 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 13.6 m -63.12 100.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.26 -0.882 . . . . 1.11 112.577 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.431 ' HG2' ' O ' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.73 ' HG2' ' H52' ' N' ' 35' ' ' FPP . 5.4 Cg_endo -55.12 -28.72 62.29 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 C-N-CA 121.767 1.645 . . . . 1.37 110.19 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.972 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -85.93 -13.33 69.54 Favored Glycine 0 N--CA 1.433 -1.525 0 CA-C-N 115.062 -0.972 . . . . 1.51 111.933 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.534 ' HA ' HD11 ' N' ' 1' ' ' ILE . 57.1 m -66.38 -28.55 68.73 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.166 0.508 . . . . 2.08 111.429 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.3 1.93 0.4 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.855 -0.612 . . . . 3.21 112.156 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.423 ' HA ' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.38 -153.32 22.67 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.103 -1.046 . . . . 2.82 115.29 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.32 -6.64 3.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.391 0.676 . . . . 3.58 111.814 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.634 HD11 ' HB1' ' L' ' 6' ' ' DAL . 1.5 mt -78.33 -13.13 59.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.179 -0.919 . . . . 3.27 109.717 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.463 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -154.38 -46.71 0.09 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.804 -0.635 . . . . 3.75 112.232 -179.258 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.62 17.97 43.11 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 108.159 -1.977 . . . . 2.98 108.159 -175.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.411 ' N ' ' HB2' ' N' ' 13' ' ' DBB . 61.7 m 63.18 82.9 0.17 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 113.953 -1.124 . . . . 2.97 109.467 -178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.463 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 0.4 OUTLIER -57.88 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.861 -1.063 . . . . 4.54 111.983 -178.356 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 79.0 mtp 63.07 6.27 2.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.389 0.676 . . . . 6.89 112.161 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -91.58 156.79 17.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.148 0.499 . . . . 5.86 111.113 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.538 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.56 72.36 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.878 -0.601 . . . . 9.75 110.736 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.44 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.538 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 28.7 m -71.79 -23.3 61.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.645 0.735 . . . . 11.27 109.177 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -116.04 22.75 12.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.771 -1.104 . . . . 13.9 108.934 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 11.3 m -85.3 63.05 7.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.846 -1.07 . . . . 14.13 110.812 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.29 -9.57 58.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.786 -0.643 . . . . 16.68 109.558 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -46.99 126.64 2.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 114.566 -1.197 . . . . 15.83 112.411 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -126.21 -82.45 0.62 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.589 -0.732 . . . . 19.33 110.062 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.46 -0.67 8.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.483 -0.781 . . . . 21.0 110.278 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 34' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' N' ' 34' ' ' LYS . 8.5 ttpp . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.251 -0.88 . . . . 23.31 110.097 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.972 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.633 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.633 ' O3 ' ' C1 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.408 0 CA-C-O 120.876 0.369 . . . . 2.22 111.233 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.665 ' C ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.49 ' HG3' ' H62' ' L' ' 2' ' ' MUB . 46.1 mtmt . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 111.635 0.235 . . . . 3.55 111.635 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' N' ' 11' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.937 -0.394 . . . . 2.1 109.937 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.473 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 2.8 mp -105.15 -32.13 2.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 107.329 -1.36 . . . . 1.54 107.329 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.0 mp -87.93 73.8 9.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.796 -1.093 . . . . 1.66 109.101 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.599 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 13.3 m -63.73 106.41 0.98 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.228 -0.896 . . . . 1.11 111.927 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.465 ' HG2' ' O ' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.719 ' HG2' ' H51' ' N' ' 35' ' ' FPP . 1.2 Cg_endo -51.88 -39.03 69.24 Favored 'Trans proline' 0 CA--C 1.512 -0.586 0 C-N-CA 122.156 1.904 . . . . 1.37 110.427 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.795 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -81.5 -12.86 81.28 Favored Glycine 0 N--CA 1.431 -1.641 0 CA-C-N 114.406 -1.27 . . . . 1.51 112.727 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.703 ' HA ' HD11 ' N' ' 1' ' ' ILE . 75.8 m -58.36 -39.33 79.27 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.101 0.477 . . . . 2.08 111.726 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 8.79 11.27 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.419 -0.809 . . . . 3.21 111.138 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.554 ' HG1' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.47 -149.16 4.99 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 120.426 -0.892 . . . . 2.82 113.499 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -1.94 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.652 0.739 . . . . 3.58 110.944 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.69 -5.7 59.05 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.704 -1.135 . . . . 3.27 110.223 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -160.0 -33.77 0.06 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 112.628 0.603 . . . . 3.75 112.628 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.7 13.68 72.07 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 107.928 -2.069 . . . . 2.98 107.928 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.554 ' HA ' ' HG1' ' N' ' 13' ' ' DBB . 47.7 m 65.39 91.33 0.08 Allowed 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 113.473 -1.363 . . . . 2.97 110.421 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.572 ' OD1' ' HG3' ' N' ' 22' ' ' LYS . 24.4 t-20 -54.67 -29.51 52.93 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.287 -1.324 . . . . 4.54 112.319 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 21' ' ' MET . . . . . 0.527 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 81.5 mtp 73.82 39.53 0.53 Allowed 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.121 -0.696 . . . . 6.89 109.121 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' OD1' ' N' ' 20' ' ' ASN . 13.7 mtpp -62.89 119.2 8.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.377 -0.829 . . . . 5.86 112.789 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.49 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.84 59.34 5.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.623 -0.717 . . . . 9.75 110.599 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.524 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.49 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 4.0 m -68.11 -28.78 67.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.479 -0.934 . . . . 11.27 108.479 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -107.08 19.23 20.7 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 114.175 -1.375 . . . . 13.9 109.184 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 26.5 m -90.11 137.48 32.31 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.046 -0.979 . . . . 14.13 110.014 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 36.5 m -81.06 59.7 3.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.215 0.531 . . . . 16.68 110.335 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 43.7 mt -77.61 133.05 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.411 -0.813 . . . . 15.83 111.069 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -131.47 152.1 50.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.87 -0.604 . . . . 19.33 110.383 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.59 99.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.101 0.477 . . . . 21.0 110.24 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 34' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' N' ' 34' ' ' LYS . 10.3 tptp . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.07 -0.967 . . . . 23.31 109.74 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.795 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.662 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.983 ' H62' ' HG3' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.404 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.514 -0.422 0 CA-C-O 121.338 0.589 . . . . 2.22 110.558 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.983 ' HG3' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.49 ' N ' ' HO6' ' L' ' 2' ' ' MUB . 53.2 mtmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 111.589 0.218 . . . . 3.55 111.589 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 7' ' ' DAL . . . . . 0.643 ' C ' ' HA3' ' N' ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 1.03 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.9 mt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.433 -0.21 . . . . 2.1 110.433 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.77 -31.9 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.296 -1.001 . . . . 1.54 108.296 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.699 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.1 OUTLIER -86.53 78.08 9.27 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.381 -0.97 . . . . 1.66 108.381 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.749 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 16.7 m -61.77 111.43 1.86 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.986 -0.552 . . . . 1.11 112.251 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.414 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.943 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 5.5 Cg_exo -53.58 -43.35 58.43 Favored 'Trans proline' 0 CA--C 1.508 -0.806 0 C-N-CA 121.269 1.313 . . . . 1.37 109.574 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -12.98 70.46 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 114.036 -1.438 . . . . 1.51 112.447 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.415 ' N ' HD11 ' N' ' 1' ' ' ILE . 56.6 m -69.16 -26.23 64.76 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.442 0.639 . . . . 2.08 110.412 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 2.0 mmmt -126.64 6.26 6.8 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.834 -1.076 . . . . 3.21 110.592 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.41 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 14' ' ' GLY . . . . . 0.643 ' HA3' ' C ' ' L' ' 7' ' ' DAL . . . -152.4 -147.16 4.52 Favored Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 119.945 -1.122 . . . . 2.82 114.392 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.46 -15.94 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.444 0.64 . . . . 3.58 110.647 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 5.0 mt -69.51 -25.82 64.23 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.92 -1.036 . . . . 3.27 111.059 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.56 ' HG3' HD22 ' N' ' 20' ' ' ASN . 1.0 OUTLIER -138.14 -30.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.89 0.7 . . . . 3.75 112.89 -177.874 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.3 18.73 68.33 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 107.544 -2.223 . . . . 2.98 107.544 -175.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 64.9 m 60.11 79.16 0.25 Allowed 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 113.388 -1.406 . . . . 2.97 109.673 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.56 HD22 ' HG3' ' N' ' 17' ' ' MET . 0.5 OUTLIER -68.09 -80.1 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.179 -1.373 . . . . 4.54 111.853 -177.427 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 21' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 61.0 mtt 75.27 -31.16 0.2 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.34 0.656 . . . . 6.89 110.362 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 22' ' ' LYS . . . . . 0.493 ' H ' ' C ' ' N' ' 20' ' ' ASN . 17.9 pttt -90.55 167.18 12.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.363 -0.835 . . . . 5.86 109.708 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.486 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.37 74.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.811 -0.631 . . . . 9.75 109.781 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.58 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.486 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 29.5 m -68.62 -30.59 69.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.459 -0.791 . . . . 11.27 110.379 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -111.97 20.56 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.808 -0.812 . . . . 13.9 108.808 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.58 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 1.7 m -74.19 139.25 44.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.589 -1.187 . . . . 14.13 111.159 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 12.4 m -79.47 -7.79 58.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.425 0.631 . . . . 16.68 110.223 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 pt -90.11 55.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.62 -0.718 . . . . 15.83 111.022 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -114.21 -60.67 1.85 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.506 0.669 . . . . 19.33 110.012 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -124.39 7.09 4.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 115.35 -0.841 . . . . 21.0 110.343 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.113 -0.946 . . . . 23.31 109.866 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 1.03 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.783 ' H3 ' ' O7 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 1.021 ' H5 ' ' HD3' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.459 ' HA ' ' C8 ' ' L' ' 1' ' ' NAG . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 112.622 0.601 . . . . 2.22 112.622 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.853 ' OE1' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 1.021 ' HD3' ' H5 ' ' L' ' 2' ' ' MUB . 6.1 mtpt . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 112.038 0.384 . . . . 3.55 112.038 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.83 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.5 mm . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 109.742 -0.466 . . . . 2.1 109.742 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.582 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 6.3 mt -119.17 -33.9 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.895 -1.048 . . . . 1.54 108.581 177.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.633 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.6 OUTLIER -101.79 68.85 1.17 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.889 -0.782 . . . . 1.66 108.889 179.655 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.531 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 22.3 m -63.52 99.1 0.19 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 1.11 112.566 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.909 ' HG2' ' H52' ' N' ' 35' ' ' FPP . 3.6 Cg_endo -57.34 -28.76 81.51 Favored 'Trans proline' 0 CA--C 1.511 -0.648 0 C-N-CA 121.667 1.578 . . . . 1.37 110.378 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.853 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -85.11 -10.74 77.65 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 114.76 -1.109 . . . . 1.51 111.431 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.99 -37.73 81.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.156 0.503 . . . . 2.08 111.865 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.0 OUTLIER -134.36 9.13 3.71 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.876 -0.602 . . . . 3.21 111.264 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.407 ' CG ' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.65 -151.99 5.6 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 119.802 -1.19 . . . . 2.82 114.748 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.31 -15.56 57.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.383 0.611 . . . . 3.58 111.37 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' N' ' 12' ' ' LYS . 2.9 mt -72.06 -16.52 62.04 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.139 -0.937 . . . . 3.27 110.897 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -150.61 -36.02 0.15 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.368 0.877 . . . . 3.75 113.368 -177.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.72 12.44 64.32 Favored Glycine 0 N--CA 1.441 -1.026 0 N-CA-C 107.712 -2.155 . . . . 2.98 107.712 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' CG ' ' N' ' 13' ' ' DBB . 54.6 m 70.22 87.97 0.11 Allowed 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 113.312 -1.444 . . . . 2.97 110.47 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' N' ' 21' ' ' MET . 33.8 t30 -78.31 -39.91 38.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 113.979 -1.464 . . . . 4.54 110.519 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 21' ' ' MET . . . . . 0.436 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 87.9 mtp 74.53 -49.92 0.67 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.16 -0.927 . . . . 6.89 111.084 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -78.95 148.43 32.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.93 0.395 . . . . 5.86 110.544 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.5 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.74 59.09 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.411 0.624 . . . . 9.75 111.229 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.515 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.5 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 2.9 m -69.0 -25.54 64.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.676 -0.861 . . . . 11.27 108.676 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -112.64 23.36 13.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.641 -1.163 . . . . 13.9 109.131 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.515 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 15.2 m -90.69 117.58 29.45 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 114.81 -1.086 . . . . 14.13 110.593 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -88.3 25.79 1.57 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.186 0.517 . . . . 16.68 110.047 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 22.5 mt -71.61 101.69 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.709 . . . . 15.83 110.592 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -126.04 -35.81 2.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.239 0.542 . . . . 19.33 110.43 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.96 93.6 2.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.366 -0.834 . . . . 21.0 110.134 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.421 -0.799 . . . . 23.31 109.553 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.909 ' H52' ' HG2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.573 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.864 ' H81' ' HB ' ' N' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.57 0 N-CA-C 113.14 0.792 . . . . 2.22 113.14 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.758 ' HXT' ' N ' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.758 ' N ' ' HXT' ' L' ' 4' ' ' FGA . 19.5 mtpt . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.158 0.504 . . . . 3.55 111.767 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 1.014 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.3 mt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 110.01 -0.367 . . . . 2.1 110.01 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.864 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 3.6 mp -125.88 -29.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.569 -0.9 . . . . 1.54 108.569 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.474 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.3 OUTLIER -132.93 55.27 1.91 Allowed 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.158 -0.928 . . . . 1.66 109.983 179.609 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.684 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 1.3 m -41.38 119.5 1.23 Allowed 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 113.01 0.745 . . . . 1.11 113.01 -177.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.439 ' O ' ' HB2' ' N' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.897 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 4.8 Cg_exo -56.49 -45.72 35.28 Favored 'Trans proline' 0 CA--C 1.507 -0.866 0 C-N-CA 121.442 1.428 . . . . 1.37 109.213 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.11 -17.19 67.65 Favored Glycine 0 N--CA 1.431 -1.636 0 CA-C-N 113.749 -1.569 . . . . 1.51 112.153 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' N' ' 8' ' ' DBB . 58.9 m -65.96 -28.47 68.93 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.926 0.87 . . . . 2.08 110.448 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 0.1 OUTLIER -120.46 22.14 11.38 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.28 -1.327 . . . . 3.21 109.119 -179.7 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.548 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.35 -142.77 3.8 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 119.236 -1.459 . . . . 2.82 115.267 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.07 -2.31 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.513 0.673 . . . . 3.58 110.611 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.34 -12.86 57.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.129 -0.941 . . . . 3.27 109.125 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.99 -57.69 0.19 Allowed 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.807 -1.088 . . . . 3.75 111.743 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.44 9.66 14.53 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 109.239 -1.545 . . . . 2.98 109.239 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.441 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 85.6 m 65.63 70.83 0.44 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 114.164 -1.018 . . . . 2.97 111.002 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 70.51 -81.51 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.295 -1.321 . . . . 4.54 111.488 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 40.3 mtt 62.4 17.37 9.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.092 0.473 . . . . 6.89 111.304 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -90.52 163.78 14.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.927 -0.579 . . . . 5.86 110.225 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.48 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 62.31 4.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.373 0.606 . . . . 9.75 111.16 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.541 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.48 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 2.8 m -69.69 -24.64 63.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.712 0.768 . . . . 11.27 109.189 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -116.02 27.32 9.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.622 -1.172 . . . . 13.9 108.861 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.541 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 3.7 m -87.73 -169.61 2.66 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.558 -1.201 . . . . 14.13 110.682 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -66.22 104.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.364 -0.38 . . . . 16.68 111.129 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -90.0 144.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.583 -0.525 . . . . 15.83 109.583 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -127.13 104.99 8.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.913 0.387 . . . . 19.33 111.436 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 19.3 t -81.05 111.21 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.921 -0.581 . . . . 21.0 109.668 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.306 -0.854 . . . . 23.31 110.303 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 1.014 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.657 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 1.068 ' H62' ' HG3' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.5 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.515 -0.386 0 CA-C-O 121.591 0.71 . . . . 2.22 110.088 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 1.068 ' HG3' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' L' ' 5' ' ' LYS . 20.5 mtmt . . . . . 0 N--CA 1.444 -0.754 0 CA-C-O 120.812 0.339 . . . . 3.55 110.556 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.866 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.943 -0.392 . . . . 2.1 109.943 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -102.04 -44.43 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.044 0.449 . . . . 1.54 110.363 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.675 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 3.9 mp -95.39 73.05 3.27 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.192 -1.04 . . . . 1.66 108.192 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 90.44 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.43 -1.259 . . . . 1.11 113.103 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.405 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.625 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.0 Cg_endo -54.91 -33.2 81.38 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.722 1.615 . . . . 1.37 110.491 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.879 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -79.42 -14.35 81.55 Favored Glycine 0 N--CA 1.434 -1.495 0 CA-C-N 114.386 -1.279 . . . . 1.51 111.749 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 38.0 m -68.78 -37.46 79.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.269 0.557 . . . . 2.08 111.152 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' N' ' 14' ' ' GLY . 0.4 OUTLIER -112.68 -4.08 14.16 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.381 -0.827 . . . . 3.21 110.177 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.414 ' HG1' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 14' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' N' ' 12' ' ' LYS . . . -131.4 -154.35 7.8 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.736 -0.745 . . . . 2.82 113.647 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.17 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 3.58 111.522 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -77.59 -10.48 59.53 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.307 -0.861 . . . . 3.27 109.769 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.422 ' HB3' ' H ' ' N' ' 19' ' ' CYS . 0.4 OUTLIER -152.97 -42.41 0.1 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 113.097 0.777 . . . . 3.75 113.097 -179.273 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.91 12.19 68.97 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 107.594 -2.202 . . . . 2.98 107.594 -175.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' N' ' 20' ' ' ASN . 88.4 m 68.53 14.47 9.08 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 113.128 -1.536 . . . . 2.97 111.961 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' N' ' 21' ' ' MET . 11.2 t-20 174.42 -23.2 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.284 -0.416 . . . . 4.54 111.595 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 21' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 73.6 mtm 77.42 12.62 2.04 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.23 0.612 . . . . 6.89 111.116 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 22' ' ' LYS . . . . . 0.445 ' HG3' ' OD1' ' N' ' 20' ' ' ASN . 3.0 mtmm -68.11 114.98 7.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.419 -0.355 . . . . 5.86 110.727 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.85 86.72 2.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.591 . . . . 9.75 110.145 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.678 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.46 -31.87 67.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.926 -1.033 . . . . 11.27 109.104 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -103.57 18.32 22.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.536 -1.211 . . . . 13.9 108.672 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.678 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 2.3 m -77.38 109.99 11.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.773 -1.103 . . . . 14.13 110.77 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.29 79.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.123 -0.49 . . . . 16.68 110.48 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 5.9 mt -91.79 32.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.7 0.762 . . . . 15.83 110.15 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -132.2 154.58 49.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.667 -0.697 . . . . 19.33 109.589 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 4.8 t -106.0 -3.93 9.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.802 0.811 . . . . 21.0 109.823 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 tptm . . . . . 0 C--O 1.246 0.869 0 CA-C-O 117.882 -1.056 . . . . 23.31 109.537 179.557 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.879 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.523 ' O5 ' ' H3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.834 ' H4A' ' C10' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.72 ' HB2' HG23 ' N' ' 1' ' ' ILE . . . . . . . . 0 CA--C 1.513 -0.448 0 N-CA-C 108.623 -0.88 . . . . 2.22 108.623 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' L' ' 5' ' ' LYS . 3.5 mtpt . . . . . 0 CA--C 1.503 -0.833 0 N-CA-C 108.435 -0.95 . . . . 3.55 108.435 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 6' ' ' DAL . . . . . 0.41 ' N ' ' HB1' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 7' ' ' DAL . . . . . 0.423 ' O ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 1.005 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.55 -0.167 . . . . 2.1 110.55 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.617 ' HB ' ' H83' ' L' ' 2' ' ' MUB . 3.6 mt -121.85 -39.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.576 -0.527 . . . . 1.54 109.576 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.648 HD13 ' H61' ' N' ' 35' ' ' FPP . 1.0 OUTLIER -97.52 64.79 1.86 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.857 -0.794 . . . . 1.66 108.857 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 99.45 0.07 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.182 1.179 . . . . 1.11 114.182 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.427 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo -54.2 -39.37 86.59 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.822 1.681 . . . . 1.37 110.386 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.774 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -74.4 -15.08 80.44 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.655 -1.157 . . . . 1.51 111.86 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 m -66.49 -26.13 67.03 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.462 0.648 . . . . 2.08 110.351 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' N' ' 16' ' ' LEU . 4.1 mmmt -117.9 13.53 14.04 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.518 -1.219 . . . . 3.21 109.382 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.595 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.07 -142.93 3.52 Favored Glycine 0 N--CA 1.44 -1.038 0 C-N-CA 121.289 -0.481 . . . . 2.82 112.839 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.25 -3.71 28.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.343 0.592 . . . . 3.58 110.593 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' N' ' 12' ' ' LYS . 4.4 mt -80.55 -26.11 38.2 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 3.27 109.699 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.511 ' HB2' ' O ' ' N' ' 12' ' ' LYS . 0.7 OUTLIER -136.07 -58.47 0.75 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.706 -0.679 . . . . 3.75 111.293 -179.049 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.07 -17.08 9.24 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 109.933 -1.267 . . . . 2.98 109.933 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m 64.8 177.59 0.19 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.473 -0.864 . . . . 2.97 111.542 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' N' ' 21' ' ' MET . 0.9 OUTLIER -119.19 -71.63 0.73 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.424 -0.353 . . . . 4.54 110.708 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' N' N ' 21' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 83.2 mtp 73.57 -47.13 0.65 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.859 0.724 . . . . 6.89 110.918 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -75.31 109.41 8.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.194 -0.457 . . . . 5.86 110.615 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.446 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.81 55.54 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.347 0.594 . . . . 9.75 110.472 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.508 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.446 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 3.2 m -66.43 -32.56 74.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.357 -0.838 . . . . 11.27 109.375 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -111.75 26.4 10.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.982 -1.008 . . . . 13.9 109.21 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 5.4 m -85.43 137.65 32.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.785 -1.098 . . . . 14.13 110.396 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -77.53 109.36 11.4 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.166 -0.47 . . . . 16.68 110.551 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.31 55.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.578 0.704 . . . . 15.83 109.376 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -136.22 140.9 43.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 19.33 109.606 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 29.2 t -75.83 110.59 11.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.099 -0.5 . . . . 21.0 110.646 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' N' N ' 34' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' N' ' 34' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 117.999 -1.0 . . . . 23.31 109.517 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 1.005 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.641 ' H3 ' ' O7 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.781 ' O7 ' ' H3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.286 0.565 . . . . 2.22 111.684 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.752 ' OXT' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.526 ' HE3' ' HB3' ' L' ' 5' ' ' LYS . 3.4 mtpp . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.313 0.578 . . . . 3.55 112.284 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.609 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.843 -0.058 . . . . 2.1 110.843 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.575 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 4.6 mp -100.0 -35.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.934 -1.136 . . . . 1.54 107.934 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.522 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -83.72 78.76 9.64 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.561 -0.745 . . . . 1.66 109.295 179.113 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.599 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 19.6 m -73.57 111.33 8.61 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.577 -0.738 . . . . 1.11 112.467 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.621 ' H ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.621 ' HD2' ' H ' ' N' ' 8' ' ' DBB . 5.5 Cg_endo -51.55 -47.4 26.35 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.951 1.768 . . . . 1.37 110.82 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.57 ' CA ' ' H42' ' N' ' 35' ' ' FPP . . . -62.71 -24.24 66.12 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.727 -1.124 . . . . 1.51 111.969 178.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.425 ' HB2' ' HG2' ' N' ' 8' ' ' DBB . 3.0 m -70.1 -20.37 63.2 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.599 0.714 . . . . 2.08 110.388 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.5 mmmt -123.82 19.22 9.38 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.712 -1.131 . . . . 3.21 109.124 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.614 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 14' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -171.36 -137.97 2.43 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 119.98 -1.105 . . . . 2.82 113.98 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.02 21.81 0.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.993 0.901 . . . . 3.58 110.02 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.1 OUTLIER -113.34 2.97 15.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.338 -1.301 . . . . 3.27 109.169 -179.708 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.561 ' HG2' ' HG3' ' N' ' 21' ' ' MET . 0.0 OUTLIER -172.3 -30.9 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.481 -0.782 . . . . 3.75 111.991 -177.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.94 9.15 81.32 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 107.099 -2.401 . . . . 2.98 107.099 -174.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.475 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 94.0 m 64.98 22.42 12.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 112.835 -1.683 . . . . 2.97 111.958 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' N' ' 21' ' ' MET . 1.6 t-20 179.32 -22.05 0.0 OUTLIER 'General case' 0 C--O 1.231 0.101 0 N-CA-C 112.35 0.5 . . . . 4.54 112.35 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 21' ' ' MET . . . . . 0.561 ' HG3' ' HG2' ' N' ' 17' ' ' MET . 90.5 mtp 75.76 -65.11 0.33 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.078 0.551 . . . . 6.89 110.489 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.92 118.59 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.612 -0.514 . . . . 5.86 109.612 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.517 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.8 75.66 2.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.586 -0.733 . . . . 9.75 111.952 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 25' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.517 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 14.0 m -80.33 -15.13 57.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.85 0.833 . . . . 11.27 109.119 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -126.97 35.78 4.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.171 -1.377 . . . . 13.9 107.334 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.94 11.04 33.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.458 -1.247 . . . . 14.13 111.683 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.71 2.26 51.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.489 0.662 . . . . 16.68 109.68 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.84 153.63 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.048 -0.978 . . . . 15.83 111.007 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -94.91 108.34 20.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.151 -0.477 . . . . 19.33 109.941 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 6.5 p -98.01 123.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.244 0.545 . . . . 21.0 110.6 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 tttp . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.833 -1.08 . . . . 23.31 109.496 -179.707 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.609 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.647 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.979 ' H62' ' HG3' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.543 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.34 0.591 . . . . 2.22 110.94 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.979 ' HG3' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' L' ' 5' ' ' LYS . 33.4 mtmt . . . . . 0 N--CA 1.441 -0.909 0 CA-C-O 120.716 0.294 . . . . 3.55 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 1.06 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.4 OUTLIER . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.265 0.079 . . . . 2.1 110.819 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.608 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 4.9 mp -101.85 -34.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.18 -1.044 . . . . 1.54 108.18 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.666 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -84.1 73.99 10.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.546 -0.752 . . . . 1.66 109.051 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.728 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 16.7 m -64.48 110.23 2.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.875 -0.602 . . . . 1.11 112.035 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.426 ' O ' ' HB2' ' N' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.988 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 6.3 Cg_exo -52.43 -43.7 52.42 Favored 'Trans proline' 0 CA--C 1.511 -0.67 0 C-N-CA 121.956 1.771 . . . . 1.37 109.963 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.08 -14.51 76.32 Favored Glycine 0 N--CA 1.431 -1.633 0 CA-C-N 113.727 -1.579 . . . . 1.51 112.447 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.53 ' N ' HD11 ' N' ' 1' ' ' ILE . 62.2 m -64.32 -32.03 73.47 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.706 0.765 . . . . 2.08 110.419 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 2.6 mmmt -112.41 7.29 19.08 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 114.779 -1.101 . . . . 3.21 109.995 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.491 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 14' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' N' ' 12' ' ' LYS . . . -135.55 -155.27 7.23 Favored Glycine 0 N--CA 1.436 -1.366 0 C-N-CA 120.485 -0.864 . . . . 2.82 113.805 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -10.21 48.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.329 0.585 . . . . 3.58 111.344 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.461 HD12 ' O ' ' N' ' 11' ' ' CYS . 3.1 mt -76.29 -3.02 34.42 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.317 -0.856 . . . . 3.27 109.887 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.448 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.2 OUTLIER -158.99 -41.37 0.06 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.894 -0.594 . . . . 3.75 112.021 -179.573 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.79 16.53 56.29 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 108.242 -1.943 . . . . 2.98 108.242 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 95.0 m 63.11 88.32 0.1 Allowed 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 113.897 -1.152 . . . . 2.97 110.078 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.448 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 9.0 t30 -53.63 -52.03 61.21 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.04 -1.436 . . . . 4.54 111.601 -178.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 21' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 31.8 mtt 72.13 -49.53 0.69 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.518 0.727 . . . . 6.89 111.743 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -64.18 133.21 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.327 0.584 . . . . 5.86 110.92 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.42 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.01 94.42 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.914 -0.584 . . . . 9.75 109.475 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.571 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.42 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 72.2 m -77.93 -22.21 49.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.208 -0.906 . . . . 11.27 109.537 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -110.81 14.81 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.028 -0.987 . . . . 13.9 108.43 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.571 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 5.8 m -76.38 133.33 39.95 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.256 -1.338 . . . . 14.13 110.508 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -70.28 108.46 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.457 -0.338 . . . . 16.68 110.192 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 21.0 mt -83.89 86.3 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.059 0.457 . . . . 15.83 111.066 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.83 116.69 4.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.792 -0.64 . . . . 19.33 109.366 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 6.5 p -77.31 113.76 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.464 0.649 . . . . 21.0 110.772 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 48.8 tttp . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.769 -0.634 . . . . 23.31 109.493 179.648 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 1.06 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.651 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.954 ' H62' ' C ' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.548 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.382 0.61 . . . . 2.22 111.102 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.954 ' C ' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.489 ' HB3' ' HE3' ' L' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 112.391 0.515 . . . . 3.55 112.391 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.734 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.795 -0.446 . . . . 2.1 109.795 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.412 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 6.5 mt -106.41 -27.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.797 -1.186 . . . . 1.54 107.797 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.782 HD13 ' H62' ' N' ' 35' ' ' FPP . 3.5 mp -88.59 74.94 8.38 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.601 -1.181 . . . . 1.66 108.797 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.61 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 21.7 m -66.18 105.84 1.5 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.642 -0.708 . . . . 1.11 112.839 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.477 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.578 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 9.5 Cg_endo -56.06 -30.53 79.05 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.883 1.722 . . . . 1.37 110.685 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.596 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -83.44 -6.76 87.28 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.238 -0.892 . . . . 1.51 111.749 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 20.4 m -78.82 -34.43 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 112.088 0.403 . . . . 2.08 112.088 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.8 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.0 OUTLIER -140.84 14.19 2.29 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.212 -0.449 . . . . 3.21 111.411 -179.346 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.436 ' HG1' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.06 -141.65 3.18 Favored Glycine 0 N--CA 1.438 -1.205 0 C-N-CA 120.104 -1.046 . . . . 2.82 113.366 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -0.01 12.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.68 0.753 . . . . 3.58 110.768 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' N' ' 12' ' ' LYS . 0.6 OUTLIER -89.58 -1.86 58.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.586 -1.188 . . . . 3.27 110.29 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.552 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -163.81 -42.48 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.498 0.666 . . . . 3.75 112.206 -178.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.7 11.44 56.83 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 106.476 -2.649 . . . . 2.98 106.476 -174.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.436 ' HA ' ' HG1' ' N' ' 13' ' ' DBB . 58.0 m 65.03 77.38 0.31 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 112.81 -1.695 . . . . 2.97 109.755 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.552 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 15.9 m-20 -68.84 -85.39 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.398 -0.819 . . . . 4.54 110.494 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 86.4 mtp 62.16 9.49 3.2 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.895 0.478 . . . . 6.89 112.055 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 22' ' ' LYS . . . . . 0.414 ' H ' ' HG3' ' N' ' 22' ' ' LYS . 0.1 OUTLIER -90.48 162.96 14.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.36 . . . . 5.86 110.14 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.523 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.92 62.67 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.426 0.632 . . . . 9.75 110.771 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.479 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.523 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 11.0 m -67.85 -30.37 69.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.687 0.756 . . . . 11.27 109.18 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -109.98 21.27 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.996 -1.002 . . . . 13.9 109.356 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 11.5 m -83.89 135.88 34.32 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.036 -0.984 . . . . 14.13 110.558 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -78.36 103.54 8.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.276 -0.42 . . . . 16.68 110.384 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 13.4 mt -96.19 118.32 42.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 15.83 109.823 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -120.44 141.56 50.04 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.124 0.488 . . . . 19.33 111.908 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.99 114.69 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 N-CA-C 108.692 -0.855 . . . . 21.0 108.692 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.489 -0.767 . . . . 23.31 109.544 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.782 ' H62' HD13 ' N' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.513 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.837 ' H4A' ' C10' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.64 ' HB2' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 120.676 0.275 . . . . 2.22 111.064 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.48 ' C ' ' HG2' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.48 ' HG2' ' C ' ' L' ' 4' ' ' FGA . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.096 -0.705 . . . . 3.55 109.096 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.507 HG22 ' O1B' ' N' ' 35' ' ' FPP . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.705 -0.48 . . . . 2.1 109.705 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.496 ' HB ' ' H83' ' L' ' 2' ' ' MUB . 2.8 mt -104.99 -30.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.002 -0.74 . . . . 1.54 109.002 178.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.572 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -89.93 74.41 7.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.593 -0.892 . . . . 1.66 108.593 179.223 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.626 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 23.8 m -66.71 102.11 0.89 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.318 0.859 . . . . 1.11 113.318 -178.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.522 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.77 ' HG2' ' H52' ' N' ' 35' ' ' FPP . 3.0 Cg_endo -47.79 -48.55 15.66 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.296 1.997 . . . . 1.37 111.191 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.819 ' H ' ' H2 ' ' N' ' 35' ' ' FPP . . . -66.37 -23.23 71.69 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 114.292 -1.322 . . . . 1.51 112.487 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.406 ' HB2' ' HG2' ' N' ' 8' ' ' DBB . 5.1 m -65.26 -23.13 66.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.881 0.848 . . . . 2.08 110.348 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.2 OUTLIER -127.53 24.47 6.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.513 -1.222 . . . . 3.21 109.325 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.725 ' HG2' H102 ' N' ' 35' ' ' FPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 14' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -179.35 -143.39 5.39 Favored Glycine 0 N--CA 1.439 -1.106 0 C-N-CA 120.039 -1.077 . . . . 2.82 114.532 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.07 28.2 0.09 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.964 0.887 . . . . 3.58 110.661 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER -119.97 7.93 10.97 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.329 -1.305 . . . . 3.27 108.35 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER 179.56 -26.65 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.266 -0.879 . . . . 3.75 112.307 -177.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.02 16.42 69.87 Favored Glycine 0 N--CA 1.44 -1.088 0 N-CA-C 107.117 -2.393 . . . . 2.98 107.117 -174.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.478 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 67.5 m 60.54 57.82 2.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 113.431 -1.385 . . . . 2.97 109.689 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.428 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 0.4 OUTLIER -62.21 -52.4 63.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 114.539 -1.21 . . . . 4.54 111.575 -178.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' N' N ' 21' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 76.7 mtm 61.36 34.11 18.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.645 0.736 . . . . 6.89 109.132 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.14 174.64 7.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.857 -1.065 . . . . 5.86 112.481 -178.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.45 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.0 83.2 2.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.506 -0.77 . . . . 9.75 109.307 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.608 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.45 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 38.2 m -68.93 -26.11 64.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.441 -0.8 . . . . 11.27 109.703 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -112.93 20.79 16.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.1 -0.954 . . . . 13.9 109.111 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.608 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 3.7 m -79.05 170.89 15.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.353 -1.294 . . . . 14.13 110.497 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.06 96.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.401 -0.363 . . . . 16.68 110.737 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 35.3 mt -128.32 102.37 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.28 -0.418 . . . . 15.83 110.837 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -136.0 -14.1 1.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 19.33 111.245 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 5.3 p -107.79 12.15 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.524 0.678 . . . . 21.0 110.413 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' N' N ' 34' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' N' ' 34' ' ' LYS . 6.5 tptp . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.716 -0.659 . . . . 23.31 109.714 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.819 ' H2 ' ' H ' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.65 ' O5 ' ' H3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.829 ' O7 ' ' H3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.81 ' HB3' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.513 -0.444 0 N-CA-C 110.067 -0.346 . . . . 2.22 110.067 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.558 ' HA ' ' H83' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.588 ' HB2' ' H82' ' L' ' 1' ' ' NAG . 51.6 mtpt . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 112.877 0.695 . . . . 3.55 112.877 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.556 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.7 OUTLIER . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.997 -0.372 . . . . 2.1 109.997 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 2' ' ' DBU . . . . . 0.406 ' HG2' ' O11' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.634 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 14.2 mt -111.65 -33.81 2.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 107.786 -1.19 . . . . 1.54 107.786 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.7 mp -88.91 72.62 8.46 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.872 -1.058 . . . . 1.66 109.128 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 29.0 m -62.64 106.87 0.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.039 -0.982 . . . . 1.11 113.003 -178.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.409 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.592 ' O ' ' HG3' ' N' ' 13' ' ' DBB . 3.4 Cg_endo -52.72 -42.72 60.94 Favored 'Trans proline' 0 CA--C 1.513 -0.553 0 C-N-CA 121.491 1.46 . . . . 1.37 109.592 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.934 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -67.69 -22.07 73.31 Favored Glycine 0 N--CA 1.436 -1.315 0 CA-C-N 114.329 -1.305 . . . . 1.51 112.054 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 m -63.31 -28.48 70.04 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.414 0.626 . . . . 2.08 110.636 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.772 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.9 mmmm -117.99 15.43 14.22 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.962 -1.017 . . . . 3.21 109.629 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.592 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.53 -140.34 2.89 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.852 -0.69 . . . . 2.82 112.783 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.24 1.32 9.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.62 0.724 . . . . 3.58 110.683 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' N' ' 12' ' ' LYS . 1.3 mt -91.73 -8.41 46.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.097 -0.956 . . . . 3.27 110.412 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' N' ' 12' ' ' LYS . 0.0 OUTLIER -154.64 -49.22 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.443 0.64 . . . . 3.75 111.697 -178.68 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.0 -16.71 35.89 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 109.311 -1.515 . . . . 2.98 109.311 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.405 ' H ' ' HB3' ' N' ' 17' ' ' MET . 3.7 m 63.45 99.75 0.03 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 114.339 -0.931 . . . . 2.97 111.904 178.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.496 ' OD1' ' HE2' ' N' ' 22' ' ' LYS . 41.5 m-80 -72.79 -98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.814 -0.63 . . . . 4.54 110.73 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 64.0 mtm 61.97 18.96 10.35 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.389 0.614 . . . . 6.89 110.491 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 22' ' ' LYS . . . . . 0.496 ' HE2' ' OD1' ' N' ' 20' ' ' ASN . 35.2 pttt -91.02 142.34 27.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.326 -0.852 . . . . 5.86 111.026 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.535 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.75 81.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.984 0.421 . . . . 9.75 110.211 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.611 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.535 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 71.0 m -68.83 -21.62 64.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.374 -0.83 . . . . 11.27 110.32 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -117.78 18.28 14.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.582 -0.896 . . . . 13.9 108.582 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.611 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 4.0 m -78.54 106.11 10.28 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.462 -1.244 . . . . 14.13 111.119 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.92 11.4 2.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.511 0.672 . . . . 16.68 110.943 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 30' ' ' ILE . . . . . 0.404 ' CG1' ' HB3' ' N' ' 28' ' ' CYS . 1.9 pt -81.86 35.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.589 -0.732 . . . . 15.83 111.645 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.26 -9.79 4.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.11 -0.496 . . . . 19.33 110.622 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 3.9 m -116.68 19.44 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.285 -0.416 . . . . 21.0 111.105 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.775 0 CA-C-O 118.416 -0.802 . . . . 23.31 109.954 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.934 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.698 ' H3 ' ' O7 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 1.029 ' H62' ' HG2' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.52 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.508 -0.657 0 CA-C-O 121.497 0.665 . . . . 2.22 110.175 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 1.029 ' HG2' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 121.11 0.481 . . . . 3.55 111.166 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.689 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.1 mm . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.633 -0.506 . . . . 2.1 109.633 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.607 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 3.7 mp -112.65 -34.92 2.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.056 -1.09 . . . . 1.54 108.056 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 6.3 mt -94.17 69.38 3.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.452 -0.795 . . . . 1.66 109.703 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.516 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 22.4 m -64.85 100.62 0.42 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.492 -0.776 . . . . 1.11 112.142 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.42 ' O ' ' HG2' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.588 ' HB2' ' H52' ' N' ' 35' ' ' FPP . 1.0 OUTLIER -53.46 -36.33 79.25 Favored 'Trans proline' 0 CA--C 1.51 -0.691 0 C-N-CA 121.712 1.608 . . . . 1.37 109.77 178.648 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.874 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -76.96 -18.37 78.84 Favored Glycine 0 N--CA 1.429 -1.768 0 CA-C-N 114.042 -1.436 . . . . 1.51 112.078 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.453 ' HA ' HD11 ' N' ' 1' ' ' ILE . 60.2 m -61.27 -31.62 71.43 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.747 0.784 . . . . 2.08 111.227 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.721 ' HB3' ' HG2' ' N' ' 17' ' ' MET . 0.1 OUTLIER -114.5 8.8 16.55 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.752 -1.113 . . . . 3.21 109.402 179.223 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.471 ' HB2' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 14' ' ' GLY . . . . . 0.592 ' O ' ' HA2' ' N' ' 18' ' ' GLY . . . -118.88 -146.15 7.87 Favored Glycine 0 CA--C 1.496 -1.117 0 C-N-CA 120.079 -1.058 . . . . 2.82 115.693 -176.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.95 -29.92 7.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.821 -1.19 . . . . 3.58 109.322 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 13.7 mt -61.87 -46.16 90.64 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.801 -1.185 . . . . 3.27 107.801 177.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.721 ' HG2' ' HB3' ' N' ' 12' ' ' LYS . 0.3 OUTLIER -98.39 -16.51 19.26 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 113.965 -1.471 . . . . 3.75 108.704 177.757 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' N' N ' 18' ' ' GLY . . . . . 0.592 ' HA2' ' O ' ' N' ' 14' ' ' GLY . . . 52.7 32.4 39.8 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 114.387 -1.278 . . . . 2.98 113.316 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.471 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 94.6 m 54.72 44.08 29.11 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.505 0.669 . . . . 2.97 110.694 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' N' ' 19' ' ' CYS . 1.0 OUTLIER 73.71 -88.65 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 114.083 -1.417 . . . . 4.54 111.623 179.099 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 65.9 mtp 55.95 23.98 7.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.171 0.51 . . . . 6.89 111.059 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -85.99 155.29 20.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.817 -0.629 . . . . 5.86 110.889 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.58 58.22 4.09 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.846 -0.615 . . . . 9.75 110.562 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.42 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 m -67.19 -24.38 65.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.641 0.734 . . . . 11.27 109.888 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -118.31 17.85 13.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.039 -0.982 . . . . 13.9 109.378 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 12.5 m -79.81 129.74 34.73 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.854 -1.066 . . . . 14.13 111.009 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -70.79 104.87 3.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.177 -0.465 . . . . 16.68 110.36 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 16.6 mt -81.42 125.81 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.714 -0.676 . . . . 15.83 110.307 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -75.62 132.25 40.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.854 -0.612 . . . . 19.33 111.195 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.62 81.86 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.736 -0.665 . . . . 21.0 109.773 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.811 0 CA-C-N 115.097 -0.956 . . . . 23.31 109.664 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.874 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.629 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 1.139 ' H62' ' HG3' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 121.526 0.679 . . . . 2.22 110.655 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 1.139 ' HG3' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.676 ' HG2' H112 ' N' ' 35' ' ' FPP . 21.6 mtpt . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.669 0.271 . . . . 3.55 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.609 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.1 mm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.405 -0.591 . . . . 2.1 109.405 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 6.5 mt -95.4 -44.99 13.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.134 -0.691 . . . . 1.54 109.134 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.616 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 2.6 mp -82.94 71.77 10.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.132 -0.94 . . . . 1.66 108.929 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 99.58 0.12 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.593 -1.185 . . . . 1.11 113.604 -178.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.452 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.616 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo -54.05 -38.92 87.19 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.591 1.528 . . . . 1.37 110.115 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.816 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -68.7 -26.21 74.63 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.896 -1.047 . . . . 1.51 111.154 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 m -62.56 -28.5 69.91 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.029 0.918 . . . . 2.08 109.939 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.2 mmmm -123.31 31.54 5.93 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.146 -1.388 . . . . 3.21 108.257 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.705 ' HG3' ' HA2' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 14' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -178.23 -145.6 6.07 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 119.832 -1.175 . . . . 2.82 115.041 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.16 29.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.896 0.855 . . . . 3.58 111.04 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' N' ' 12' ' ' LYS . 0.2 OUTLIER -119.61 10.59 11.8 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.138 -1.392 . . . . 3.27 107.924 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.426 ' HB2' ' CB ' ' N' ' 12' ' ' LYS . 1.0 OUTLIER 178.46 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.035 -0.984 . . . . 3.75 112.271 -177.508 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.4 12.6 57.05 Favored Glycine 0 N--CA 1.438 -1.197 0 N-CA-C 105.859 -2.896 . . . . 2.98 105.859 -173.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.522 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 16.8 m 75.05 -65.87 0.32 Allowed 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 112.393 -1.904 . . . . 2.97 111.526 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 20' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -173.18 -39.26 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.854 -0.424 . . . . 4.54 109.854 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 47.0 mtt 74.54 -43.78 0.54 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.223 -0.899 . . . . 6.89 110.357 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 22' ' ' LYS . . . . . 0.614 ' HD3' ' SG ' ' N' ' 26' ' ' CYS . 0.2 OUTLIER -90.47 173.61 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.638 -0.71 . . . . 5.86 109.359 178.522 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.494 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.7 77.84 2.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.303 0.573 . . . . 9.75 110.581 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.591 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.614 ' SG ' ' HD3' ' N' ' 22' ' ' LYS . 5.5 m -73.57 -22.15 60.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.77 0.795 . . . . 11.27 108.907 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -112.88 24.88 11.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.407 -1.27 . . . . 13.9 108.437 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.591 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 8.9 m -91.51 178.79 5.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.246 -1.343 . . . . 14.13 110.027 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -77.73 70.79 4.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.067 0.46 . . . . 16.68 110.722 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 50.2 mt -77.33 117.93 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.862 -0.608 . . . . 15.83 110.266 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -128.21 121.2 28.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.112 0.482 . . . . 19.33 111.194 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.83 -10.61 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.525 0.679 . . . . 21.0 109.457 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.111 -0.947 . . . . 23.31 110.669 179.615 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.816 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.6 ' O7 ' ' C3 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.722 ' H62' ' HG2' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.409 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.449 -0.509 0 CA-C-O 121.293 0.568 . . . . 2.22 111.793 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.583 ' O ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.722 ' HG2' ' H62' ' L' ' 2' ' ' MUB . 29.1 mtpt . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 121.282 0.563 . . . . 3.55 111.289 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.768 HD13 ' H11' ' N' ' 35' ' ' FPP . 2.3 mt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.248 -0.279 . . . . 2.1 110.248 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' N' N ' 3' ' ' DAL . . . . . 0.483 ' HB3' ' O3A' ' N' ' 35' ' ' FPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.706 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 3.0 mp -95.77 -29.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 107.74 -1.207 . . . . 1.54 107.74 176.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.59 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.4 mp -91.91 74.23 5.64 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.803 -1.089 . . . . 1.66 108.874 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.733 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 7.7 m -61.84 103.17 0.32 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.957 . . . . 1.11 112.141 -178.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.416 ' HG2' ' O ' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.783 ' HG2' ' H51' ' N' ' 35' ' ' FPP . 2.0 Cg_endo -51.39 -39.26 63.9 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.12 1.88 . . . . 1.37 110.236 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.602 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -76.92 -15.67 81.44 Favored Glycine 0 N--CA 1.432 -1.6 0 CA-C-N 114.137 -1.392 . . . . 1.51 112.586 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.408 ' HB2' ' HG2' ' N' ' 8' ' ' DBB . 57.8 m -63.69 -23.06 67.22 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.904 0.859 . . . . 2.08 111.519 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.664 ' HE2' ' SD ' ' N' ' 17' ' ' MET . 0.0 OUTLIER -132.26 19.05 4.43 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 114.612 -1.177 . . . . 3.21 109.864 179.601 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.533 ' HB2' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.48 -153.33 6.16 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 119.814 -1.184 . . . . 2.82 114.559 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.45 16.4 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.443 0.697 . . . . 3.58 111.427 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 1.6 mt -74.05 -11.45 60.33 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.953 -1.022 . . . . 3.27 109.495 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.664 ' SD ' ' HE2' ' N' ' 12' ' ' LYS . 0.0 OUTLIER -156.02 -44.07 0.08 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.477 0.656 . . . . 3.75 112.339 -178.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' N' N ' 18' ' ' GLY . . . . . 0.599 ' HA3' ' HG3' ' N' ' 21' ' ' MET . . . 102.83 8.32 42.69 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 107.445 -2.262 . . . . 2.98 107.445 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.533 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 99.5 m 75.01 -24.27 0.22 Allowed 'General case' 0 C--N 1.341 0.233 0 CA-C-N 113.135 -1.532 . . . . 2.97 111.039 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' N' ' 18' ' ' GLY . 1.6 t-20 -172.07 -68.37 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.581 . . . . 4.54 109.924 177.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 21' ' ' MET . . . . . 0.599 ' HG3' ' HA3' ' N' ' 18' ' ' GLY . 47.7 mtp 63.39 18.61 11.15 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.083 -0.508 . . . . 6.89 111.923 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -79.51 139.48 37.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.048 -0.524 . . . . 5.86 110.139 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.34 102.18 3.64 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.698 -0.683 . . . . 9.75 111.795 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.544 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 5.1 m -79.86 -29.01 39.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.802 -1.184 . . . . 11.27 107.802 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -103.05 22.77 13.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.933 -1.485 . . . . 13.9 108.067 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.544 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 1.2 m -67.32 157.42 34.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.457 -1.247 . . . . 14.13 110.488 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.29 98.6 1.07 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.383 -0.371 . . . . 16.68 110.55 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 39.8 mt -77.58 127.63 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.629 -0.508 . . . . 15.83 109.629 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -81.49 139.69 35.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.015 -0.539 . . . . 19.33 111.059 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 9.2 t -78.16 112.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.728 -0.669 . . . . 21.0 109.809 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp . . . . . 0 C--O 1.246 0.903 0 CA-C-O 117.377 -1.297 . . . . 23.31 108.608 -179.717 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.783 ' H51' ' HG2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.63 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.814 ' O6 ' ' H1 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 112.546 0.573 . . . . 2.22 112.546 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.64 ' HXT' ' N ' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.64 ' N ' ' HXT' ' L' ' 4' ' ' FGA . 4.1 mtpt . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 121.141 0.496 . . . . 3.55 112.124 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.772 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.5 mp . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.862 -0.421 . . . . 2.1 109.862 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 2' ' ' DBU . . . . . 0.486 ' N ' HG22 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.814 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 2.9 mp -108.39 -22.91 4.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.548 -1.279 . . . . 1.54 107.548 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.6 ' H ' HD12 ' N' ' 6' ' ' LEU . 1.2 mp -90.0 71.6 7.45 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.868 -1.06 . . . . 1.66 109.397 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 8.9 m -66.78 103.38 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 1.11 112.42 -178.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.443 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.565 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 2.7 Cg_endo -50.97 -43.95 44.77 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.854 1.703 . . . . 1.37 109.757 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.859 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -66.25 -26.22 72.52 Favored Glycine 0 N--CA 1.432 -1.632 0 CA-C-N 113.752 -1.567 . . . . 1.51 111.974 178.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 m -59.72 -27.75 66.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.537 0.684 . . . . 2.08 110.704 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.9 mmmt -120.79 20.13 11.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.865 -1.061 . . . . 3.21 109.393 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.483 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.84 -143.12 3.63 Favored Glycine 0 N--CA 1.434 -1.467 0 C-N-CA 120.729 -0.748 . . . . 2.82 113.159 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.27 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.184 0.516 . . . . 3.58 110.815 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' N' ' 12' ' ' LYS . 6.0 mt -73.28 -28.64 62.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.868 . . . . 3.27 110.135 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' N' ' 12' ' ' LYS . 0.2 OUTLIER -132.83 -66.27 0.68 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.537 0.684 . . . . 3.75 110.665 -179.68 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.65 -18.7 4.56 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 109.756 -1.337 . . . . 2.98 109.756 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.443 ' HB3' ' HG1' ' N' ' 13' ' ' DBB . 2.6 m 59.43 40.43 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.419 -0.89 . . . . 2.97 112.106 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -83.05 -97.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.572 -0.285 . . . . 4.54 110.619 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 92.2 mtp 63.29 4.64 1.72 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.099 0.56 . . . . 6.89 112.339 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -91.48 164.76 13.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.36 -0.382 . . . . 5.86 110.764 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 23' ' ' DBB . . . . . 0.446 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.82 57.44 2.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.46 0.647 . . . . 9.75 109.867 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.405 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 26' ' ' CYS . . . . . 0.446 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 10.2 m -65.15 -29.53 70.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.419 -0.81 . . . . 11.27 110.256 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -120.79 30.97 6.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.134 -0.939 . . . . 13.9 108.563 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.426 ' HB3' HG13 ' N' ' 30' ' ' ILE . 3.8 m -85.93 -177.89 6.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.821 -1.081 . . . . 14.13 110.727 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 68.2 m -122.57 41.63 3.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.337 0.589 . . . . 16.68 110.692 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 30' ' ' ILE . . . . . 0.426 HG13 ' HB3' ' N' ' 28' ' ' CYS . 6.3 mt -86.91 49.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.433 0.635 . . . . 15.83 110.012 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -152.99 120.65 6.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 19.33 110.182 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -119.09 109.79 27.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.402 -0.363 . . . . 21.0 110.296 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' N' N ' 34' ' ' LYS . . . . . 0.599 ' HE2' ' HA ' ' N' ' 34' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.102 -0.951 . . . . 23.31 109.259 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.859 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.661 ' HN2' ' HG2' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.847 ' H4A' ' N ' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.847 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.363 0.601 . . . . 2.22 109.929 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.801 ' HA ' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.908 ' HA ' ' HE3' ' L' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 112.395 0.517 . . . . 3.55 112.395 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.44 ' HB ' ' O3A' ' N' ' 35' ' ' FPP . 1.1 mm . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.519 -0.548 . . . . 2.1 109.519 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.423 HD12 ' HN2' ' L' ' 2' ' ' MUB . 12.1 mt -107.89 -30.85 2.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 107.708 -1.219 . . . . 1.54 107.708 177.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.694 HD11 ' H52' ' N' ' 35' ' ' FPP . 0.1 OUTLIER -86.2 76.58 9.71 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.75 -1.113 . . . . 1.66 108.818 178.552 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.525 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 37.0 m -67.18 107.38 2.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.367 -0.833 . . . . 1.11 113.174 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.504 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.588 ' HG2' HD12 ' N' ' 6' ' ' LEU . 6.9 Cg_endo -52.61 -46.56 32.52 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.885 1.723 . . . . 1.37 110.235 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.781 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -68.7 -15.58 68.96 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 114.479 -1.237 . . . . 1.51 112.517 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.407 ' HB2' ' HG2' ' N' ' 8' ' ' DBB . 32.0 m -66.94 -27.19 67.27 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.346 0.593 . . . . 2.08 110.89 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.2 mmmm -116.66 5.45 13.21 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.095 -0.957 . . . . 3.21 109.948 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' N' N ' 14' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -159.85 -143.76 3.76 Favored Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 119.577 -1.296 . . . . 2.82 114.553 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.73 28.51 0.13 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.809 0.814 . . . . 3.58 110.616 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.5 OUTLIER -123.94 6.36 8.66 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.57 -1.195 . . . . 3.27 108.699 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.473 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -174.22 -28.53 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.303 -0.862 . . . . 3.75 112.089 -178.716 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.28 18.6 79.14 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 107.28 -2.328 . . . . 2.98 107.28 -174.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 46.5 m 64.22 70.08 0.51 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 112.98 -1.61 . . . . 2.97 110.349 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.715 ' HB3' ' HG2' ' N' ' 22' ' ' LYS . 24.7 m-80 -128.41 -68.79 0.75 Allowed 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 113.687 -1.597 . . . . 4.54 110.428 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 59.9 mtm 65.8 17.96 11.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.576 -0.738 . . . . 6.89 110.78 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 22' ' ' LYS . . . . . 0.715 ' HG2' ' HB3' ' N' ' 20' ' ' ASN . 15.8 ptmt -91.31 167.92 11.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.265 -0.88 . . . . 5.86 110.412 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' N' N ' 24' ' ' ALA . . . . . 0.415 ' HB2' ' HE2' ' N' ' 22' ' ' LYS . . . -90.32 65.7 6.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.14 0.495 . . . . 9.75 111.941 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.621 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.38 -33.86 69.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.755 0.788 . . . . 11.27 108.876 178.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -100.86 14.46 31.71 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.414 -1.266 . . . . 13.9 109.583 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.621 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 4.9 m -75.26 153.52 37.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.781 -1.099 . . . . 14.13 110.678 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.84 110.3 3.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.283 -0.417 . . . . 16.68 110.723 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mt -84.73 125.8 40.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.97 0.414 . . . . 15.83 109.9 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -77.23 163.0 26.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 19.33 111.124 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -84.4 3.61 3.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.506 . . . . 21.0 111.911 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.914 -1.041 . . . . 23.31 109.065 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.781 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.623 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.623 ' O3 ' ' C1 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.684 0 CA-C-O 121.041 0.448 . . . . 2.22 111.937 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.745 ' O ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' L' ' 5' ' ' LYS . 11.4 mtmt . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 120.965 0.412 . . . . 3.55 111.044 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.75 HD13 ' H11' ' N' ' 35' ' ' FPP . 1.3 mt . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.054 -0.351 . . . . 2.1 110.054 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.6 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 4.2 mp -110.36 -29.69 2.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.927 -1.138 . . . . 1.54 107.927 177.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.5 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.4 mp -97.76 70.47 2.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.2 -0.909 . . . . 1.66 109.084 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.711 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 7.7 m -62.71 105.46 0.66 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.172 -0.922 . . . . 1.11 112.328 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.425 ' O ' ' HG2' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.76 ' HG2' ' H51' ' N' ' 35' ' ' FPP . 4.2 Cg_exo -50.07 -39.75 50.67 Favored 'Trans proline' 0 CA--C 1.512 -0.592 0 C-N-CA 121.64 1.56 . . . . 1.37 110.434 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.537 ' CA ' ' H42' ' N' ' 35' ' ' FPP . . . -76.8 -12.8 84.22 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 114.128 -1.396 . . . . 1.51 112.633 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.477 ' N ' HD11 ' N' ' 1' ' ' ILE . 60.4 m -66.83 -23.35 66.03 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.33 0.586 . . . . 2.08 110.744 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' N' ' 16' ' ' LEU . 0.1 OUTLIER -131.82 1.09 3.96 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.985 -1.007 . . . . 3.21 111.115 179.625 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.424 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 14' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -173.72 -139.23 2.86 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.074 -1.06 . . . . 2.82 113.178 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.6 37.21 0.22 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.422 1.106 . . . . 3.58 110.122 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.0 OUTLIER -135.04 11.74 3.6 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 113.598 -1.637 . . . . 3.27 108.373 -178.559 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 175.46 -34.28 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.335 -0.848 . . . . 3.75 111.708 -178.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.49 18.3 68.97 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 107.039 -2.424 . . . . 2.98 107.039 -174.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m 63.64 56.39 1.57 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 113.158 -1.521 . . . . 2.97 109.454 -177.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' N' ' 21' ' ' MET . 0.8 OUTLIER -80.76 -35.92 32.63 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 113.883 -1.508 . . . . 4.54 111.394 -179.459 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' N' N ' 21' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 89.8 mtp 76.41 -28.66 0.18 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.87 0.868 . . . . 6.89 112.318 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 22' ' ' LYS . . . . . 0.413 ' HG2' ' HB3' ' N' ' 20' ' ' ASN . 56.2 pttt -68.86 133.28 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.745 0.307 . . . . 5.86 110.36 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.19 94.75 1.19 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.632 -0.713 . . . . 9.75 112.183 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.615 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 37.6 m -76.49 -24.7 53.79 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.746 -0.835 . . . . 11.27 108.746 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -109.1 24.44 13.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.55 -1.204 . . . . 13.9 108.474 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.615 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 1.5 m -79.33 172.24 14.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.46 -1.245 . . . . 14.13 111.164 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -80.28 50.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.042 -0.526 . . . . 16.68 110.698 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 54.8 mt -68.73 122.42 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 15.83 110.052 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -128.72 153.11 47.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.301 -0.409 . . . . 19.33 111.271 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 m -97.97 -5.86 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.593 0.711 . . . . 21.0 109.123 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.638 -0.696 . . . . 23.31 109.308 -179.874 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.76 ' H51' ' HG2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.63 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.84 ' H81' ' HB ' ' N' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.991 0.424 . . . . 2.22 111.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.717 ' OXT' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 5' ' ' LYS . . . . . 0.452 ' HD3' ' H5 ' ' L' ' 2' ' ' MUB . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 120.979 0.419 . . . . 3.55 111.146 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.95 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.25 -0.278 . . . . 2.1 110.25 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.84 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 4.8 mp -104.92 -27.38 3.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 107.599 -1.26 . . . . 1.54 107.599 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.68 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.2 OUTLIER -86.02 73.85 10.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.862 -0.792 . . . . 1.66 108.862 178.519 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.75 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 9.0 m -61.73 112.89 2.45 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.818 0.673 . . . . 1.11 112.818 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.43 ' O ' ' HB2' ' N' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.819 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 3.8 Cg_exo -55.71 -42.1 70.91 Favored 'Trans proline' 0 CA--C 1.509 -0.766 0 C-N-CA 121.567 1.512 . . . . 1.37 109.937 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.57 -12.56 77.63 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 113.879 -1.509 . . . . 1.51 112.051 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.48 ' N ' HD11 ' N' ' 1' ' ' ILE . 61.3 m -66.88 -29.73 69.71 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.624 0.726 . . . . 2.08 110.206 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.5 OUTLIER -109.46 5.94 23.77 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.638 -1.164 . . . . 3.21 109.521 178.81 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.455 ' HG1' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 14' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -157.76 -145.84 4.34 Favored Glycine 0 N--CA 1.439 -1.154 0 C-N-CA 120.271 -0.966 . . . . 2.82 113.677 -178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.18 28.35 0.19 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.546 0.688 . . . . 3.58 110.979 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' N' ' 12' ' ' LYS . 4.5 mt -113.78 -28.0 7.59 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.947 -1.024 . . . . 3.27 108.972 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 17' ' ' MET . . . . . 0.525 ' SD ' ' HG2' ' N' ' 21' ' ' MET . 38.6 mtt -143.1 -12.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.229 -0.896 . . . . 3.75 111.921 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.63 14.08 64.36 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.744 -1.342 . . . . 2.98 109.744 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 19' ' ' CYS . . . . . 0.455 ' HA ' ' HG1' ' N' ' 13' ' ' DBB . 84.2 m 61.13 25.92 15.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 114.242 -0.979 . . . . 2.97 110.236 -177.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 20' ' ' ASN . . . . . 0.466 ' HB3' ' HG3' ' N' ' 22' ' ' LYS . 6.4 t-20 -136.89 -13.38 1.66 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.469 -0.787 . . . . 4.54 111.471 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 21' ' ' MET . . . . . 0.525 ' HG2' ' SD ' ' N' ' 17' ' ' MET . 63.3 mtt 70.87 -1.49 2.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.244 0.617 . . . . 6.89 112.53 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 22' ' ' LYS . . . . . 0.466 ' HG3' ' HB3' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -90.38 158.95 16.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.764 0.316 . . . . 5.86 110.959 -179.65 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 62.62 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.499 . . . . 9.75 110.649 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.521 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 2.3 m -73.45 -26.02 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.708 0.766 . . . . 11.27 109.02 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -111.06 21.27 16.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.803 -1.089 . . . . 13.9 109.107 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.521 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 5.3 m -82.08 134.24 35.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.537 -1.211 . . . . 14.13 110.555 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.76 68.95 5.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.206 0.527 . . . . 16.68 110.91 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 30' ' ' ILE . . . . . 0.696 HG23 ' HB1' ' N' ' 33' ' ' DHA . 33.7 mt -81.62 102.77 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.592 -0.731 . . . . 15.83 109.709 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -95.08 -71.87 0.65 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.897 -0.592 . . . . 19.33 110.701 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.48 -13.45 11.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.196 -0.911 . . . . 21.0 110.636 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 33' ' ' DHA . . . . . 0.696 ' HB1' HG23 ' N' ' 30' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? . . . . . 0 C--N 1.316 -0.889 0 CA-C-O 117.869 -1.062 . . . . 23.31 109.147 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.95 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 1' ' ' NAG . . . . . 0.474 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 2' ' ' MUB . . . . . 0.99 ' H61' ' HB3' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 3' ' ' ALA . . . . . 0.99 ' HB3' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 120.308 0.099 . . . . 2.22 111.222 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 4' ' ' FGA . . . . . 0.74 ' HG3' ' O ' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 109.613 -0.514 . . . . 3.55 109.613 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' N' N ' 1' ' ' ILE . . . . . 0.695 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.4 OUTLIER . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.063 -0.347 . . . . 2.1 110.063 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 2' ' ' DBU . . . . . 0.555 ' HG2' ' O11' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.733 HD12 ' HN2' ' L' ' 2' ' ' MUB . 22.5 mt -105.96 -37.47 4.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 107.992 -1.114 . . . . 1.54 107.992 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.737 HD12 ' H62' ' N' ' 35' ' ' FPP . 15.0 mt -89.15 74.3 8.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.096 -0.956 . . . . 1.66 109.638 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 45.7 m -66.03 97.78 0.39 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.485 -0.779 . . . . 1.11 113.07 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 8' ' ' DBB . . . . . 0.48 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.573 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.5 Cg_endo -53.01 -45.73 39.02 Favored 'Trans proline' 0 CA--C 1.511 -0.648 0 C-N-CA 121.411 1.407 . . . . 1.37 109.99 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 10' ' ' GLY . . . . . 0.919 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -66.9 -16.43 66.18 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.77 -1.105 . . . . 1.51 112.244 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 11' ' ' CYS . . . . . 0.444 ' HB2' ' HG2' ' N' ' 8' ' ' DBB . 18.7 m -70.28 -26.19 63.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.145 0.498 . . . . 2.08 111.404 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 12' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' N' ' 12' ' ' LYS . 3.4 mmmt -126.75 10.95 7.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.518 -0.765 . . . . 3.21 110.565 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 13' ' ' DBB . . . . . 0.52 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 14' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -170.96 -143.8 4.13 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.23 -0.986 . . . . 2.82 113.715 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.86 29.7 0.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.856 0.836 . . . . 3.58 110.366 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 16' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER -123.53 8.17 8.95 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.377 -1.283 . . . . 3.27 108.196 -179.47 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.47 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.993 -1.003 . . . . 3.75 111.53 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.03 7.05 51.01 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 108.947 -1.661 . . . . 2.98 108.947 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 94.3 m 65.31 62.64 0.68 Allowed 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 113.829 -1.186 . . . . 2.97 111.274 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 70.42 -57.45 0.58 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.31 -1.314 . . . . 4.54 113.232 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 44.0 mtt 60.4 46.22 10.13 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.594 0.712 . . . . 6.89 110.3 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -88.76 140.8 29.08 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.005 -0.998 . . . . 5.86 111.362 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.68 74.16 8.69 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.673 0.62 . . . . 9.75 112.673 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 25' ' ' DBB . . . . . 0.62 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.61 -37.54 70.91 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.748 -0.834 . . . . 11.27 108.748 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -97.87 18.88 14.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.61 -1.177 . . . . 13.9 109.562 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 28' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 2.3 m -76.8 137.58 39.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.82 -1.082 . . . . 14.13 110.336 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -82.17 61.02 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.228 0.537 . . . . 16.68 111.008 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 43.2 mt -79.14 123.93 36.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.672 -0.695 . . . . 15.83 109.915 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -106.04 151.03 25.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.087 -0.506 . . . . 19.33 111.284 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -107.08 97.38 5.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.891 -0.595 . . . . 21.0 110.182 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.708 -0.663 . . . . 23.31 110.261 179.572 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' N' N ' 35' ' ' FPP . . . . . 0.919 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.536 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.948 -0.76 . . . . 1.6599999999999999 108.948 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.26 -0.882 . . . . 1.1100000000000001 112.577 -178.56 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.536 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 5.4 Cg_endo . . . . . 0 CA--C 1.511 -0.652 0 N-CA-C 110.19 -0.735 . . . . 1.3700000000000001 110.19 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.93 -13.33 69.54 Favored Glycine 0 N--CA 1.433 -1.525 0 CA-C-N 115.062 -0.972 . . . . 1.51 111.933 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.38 -28.55 68.73 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.166 0.508 . . . . 2.0800000000000001 111.429 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.315 -0.896 0 CA-C-N 115.855 -0.612 . . . . 3.21 112.156 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.101 0 N-CA-C 115.29 0.876 . . . . 2.8199999999999998 115.29 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.32 -6.64 3.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.391 0.676 . . . . 3.5800000000000001 111.814 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.444 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 1.5 mt . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 115.179 -0.919 . . . . 3.27 109.717 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.0 mp . . . . . 0 N--CA 1.444 -0.762 0 N-CA-C 109.101 -0.703 . . . . 1.6599999999999999 109.101 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.228 -0.896 . . . . 1.1100000000000001 111.927 -178.923 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.526 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 1.2 Cg_endo . . . . . 0 CA--C 1.512 -0.586 0 CA-C-O 121.921 0.717 . . . . 1.3700000000000001 110.427 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.5 -12.86 81.28 Favored Glycine 0 N--CA 1.431 -1.641 0 CA-C-N 114.406 -1.27 . . . . 1.51 112.727 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 75.8 m -58.36 -39.33 79.27 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.101 0.477 . . . . 2.0800000000000001 111.726 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.311 -1.095 0 CA-C-N 115.419 -0.809 . . . . 3.21 111.138 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.169 0 N-CA-C 113.499 0.16 . . . . 2.8199999999999998 113.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -1.94 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.652 0.739 . . . . 3.5800000000000001 110.944 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.312 -1.025 0 CA-C-N 114.704 -1.135 . . . . 3.27 110.223 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.699 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 108.381 -0.97 . . . . 1.6599999999999999 108.381 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.986 -0.552 . . . . 1.1100000000000001 112.251 -178.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.699 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 5.5 Cg_exo . . . . . 0 CA--C 1.508 -0.806 0 N-CA-C 109.574 -0.972 . . . . 1.3700000000000001 109.574 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -12.98 70.46 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 114.036 -1.438 . . . . 1.51 112.447 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 56.6 m -69.16 -26.23 64.76 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.442 0.639 . . . . 2.0800000000000001 110.412 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt . . . . . 0 C--N 1.315 -0.928 0 CA-C-N 114.834 -1.076 . . . . 3.21 110.592 179.583 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.502 0 N-CA-C 114.392 0.517 . . . . 2.8199999999999998 114.392 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.46 -15.94 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.444 0.64 . . . . 3.5800000000000001 110.647 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 5.0 mt . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 114.92 -1.036 . . . . 3.27 111.059 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.633 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.6 OUTLIER . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 108.889 -0.782 . . . . 1.6599999999999999 108.889 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 1.1100000000000001 112.566 -178.829 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.633 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.6 Cg_endo . . . . . 0 CA--C 1.511 -0.648 0 CA-C-O 121.802 0.668 . . . . 1.3700000000000001 110.378 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.11 -10.74 77.65 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 114.76 -1.109 . . . . 1.51 111.431 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.99 -37.73 81.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.156 0.503 . . . . 2.0800000000000001 111.865 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 115.876 -0.602 . . . . 3.21 111.264 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.398 0 N-CA-C 114.748 0.659 . . . . 2.8199999999999998 114.748 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.31 -15.56 57.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.383 0.611 . . . . 3.5800000000000001 111.37 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' N' ' 12' ' ' LYS . 2.9 mt . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.139 -0.937 . . . . 3.27 110.897 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.474 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.539 0 N-CA-C 109.983 -0.377 . . . . 1.6599999999999999 109.983 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 113.01 0.745 . . . . 1.1100000000000001 113.01 -177.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.474 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 4.8 Cg_exo . . . . . 0 CA--C 1.507 -0.866 0 N-CA-C 109.213 -1.111 . . . . 1.3700000000000001 109.213 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.11 -17.19 67.65 Favored Glycine 0 N--CA 1.431 -1.636 0 CA-C-N 113.749 -1.569 . . . . 1.51 112.153 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 58.9 m -65.96 -28.47 68.93 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.926 0.87 . . . . 2.0800000000000001 110.448 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.31 -1.143 0 CA-C-N 114.28 -1.327 . . . . 3.21 109.119 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.871 0 N-CA-C 115.267 0.867 . . . . 2.8199999999999998 115.267 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.07 -2.31 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.513 0.673 . . . . 3.5800000000000001 110.611 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.129 -0.941 . . . . 3.27 109.125 179.614 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.625 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.9 mp . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 108.192 -1.04 . . . . 1.6599999999999999 108.192 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 114.43 -1.259 . . . . 1.1100000000000001 113.103 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.625 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.0 Cg_endo . . . . . 0 CA--C 1.512 -0.577 0 CA-C-O 121.968 0.737 . . . . 1.3700000000000001 110.491 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.42 -14.35 81.55 Favored Glycine 0 N--CA 1.434 -1.495 0 CA-C-N 114.386 -1.279 . . . . 1.51 111.749 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 38.0 m -68.78 -37.46 79.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.269 0.557 . . . . 2.0800000000000001 111.152 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.311 -1.106 0 CA-C-N 115.381 -0.827 . . . . 3.21 110.177 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.057 0 N-CA-C 113.647 0.219 . . . . 2.8199999999999998 113.647 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.17 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 3.5800000000000001 111.522 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.317 -0.842 0 CA-C-N 115.307 -0.861 . . . . 3.27 109.769 178.798 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.613 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 108.857 -0.794 . . . . 1.6599999999999999 108.857 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 114.182 1.179 . . . . 1.1100000000000001 114.182 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo . . . . . 0 CA--C 1.517 -0.345 0 N-CA-C 110.386 -0.659 . . . . 1.3700000000000001 110.386 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.4 -15.08 80.44 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.655 -1.157 . . . . 1.51 111.86 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 m -66.49 -26.13 67.03 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.462 0.648 . . . . 2.0800000000000001 110.351 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' N' ' 16' ' ' LEU . 4.1 mmmt . . . . . 0 C--N 1.31 -1.111 0 CA-C-N 114.518 -1.219 . . . . 3.21 109.382 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.038 0 CA-C-O 120.3 -0.166 . . . . 2.8199999999999998 112.839 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.25 -3.71 28.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.343 0.592 . . . . 3.5800000000000001 110.593 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' N' ' 12' ' ' LYS . 4.4 mt . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 3.27 109.699 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.522 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.295 -0.631 . . . . 1.6599999999999999 109.295 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.577 -0.738 . . . . 1.1100000000000001 112.467 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.522 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 5.5 Cg_endo . . . . . 0 CA--C 1.508 -0.806 0 N-CA-C 110.82 -0.492 . . . . 1.3700000000000001 110.82 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.71 -24.24 66.12 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.727 -1.124 . . . . 1.51 111.969 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -70.1 -20.37 63.2 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.599 0.714 . . . . 2.0800000000000001 110.388 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.5 mmmt . . . . . 0 C--N 1.317 -0.821 0 CA-C-N 114.712 -1.131 . . . . 3.21 109.124 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.443 -0.877 0 N-CA-C 113.98 0.352 . . . . 2.8199999999999998 113.98 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.02 21.81 0.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.993 0.901 . . . . 3.5800000000000001 110.02 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.315 -0.903 0 CA-C-N 114.338 -1.301 . . . . 3.27 109.169 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.666 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.051 -0.722 . . . . 1.6599999999999999 109.051 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.875 -0.602 . . . . 1.1100000000000001 112.035 -179.242 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.666 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 6.3 Cg_exo . . . . . 0 CA--C 1.511 -0.67 0 N-CA-C 109.963 -0.822 . . . . 1.3700000000000001 109.963 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.08 -14.51 76.32 Favored Glycine 0 N--CA 1.431 -1.633 0 CA-C-N 113.727 -1.579 . . . . 1.51 112.447 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . 0.461 ' O ' HD12 ' N' ' 16' ' ' LEU . 62.2 m -64.32 -32.03 73.47 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.706 0.765 . . . . 2.0800000000000001 110.419 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt . . . . . 0 C--N 1.309 -1.193 0 CA-C-N 114.779 -1.101 . . . . 3.21 109.995 179.44 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.366 0 N-CA-C 113.805 0.282 . . . . 2.8199999999999998 113.805 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -10.21 48.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.329 0.585 . . . . 3.5800000000000001 111.344 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.461 HD12 ' O ' ' N' ' 11' ' ' CYS . 3.1 mt . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.317 -0.856 . . . . 3.27 109.887 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.578 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.5 mp . . . . . 0 N--CA 1.439 -0.983 0 N-CA-C 108.797 -0.816 . . . . 1.6599999999999999 108.797 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.319 -0.734 0 CA-C-N 115.642 -0.708 . . . . 1.1100000000000001 112.839 -179.178 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.578 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 9.5 Cg_endo . . . . . 0 CA--C 1.515 -0.436 0 CA-C-O 121.607 0.586 . . . . 1.3700000000000001 110.685 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.44 -6.76 87.28 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.238 -0.892 . . . . 1.51 111.749 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 20.4 m -78.82 -34.43 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 112.088 0.403 . . . . 2.0800000000000001 112.088 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.8 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 116.212 -0.449 . . . . 3.21 111.411 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.205 0 N-CA-C 113.366 0.106 . . . . 2.8199999999999998 113.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -0.01 12.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.68 0.753 . . . . 3.5800000000000001 110.768 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' N' ' 12' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.317 -0.833 0 CA-C-N 114.586 -1.188 . . . . 3.27 110.29 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.572 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 108.593 -0.892 . . . . 1.6599999999999999 108.593 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 23.8 m . . . . . 0 C--N 1.319 -0.737 0 N-CA-C 113.318 0.859 . . . . 1.1100000000000001 113.318 -178.495 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.572 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.0 Cg_endo . . . . . 0 CA--C 1.51 -0.72 0 CA-C-O 121.42 0.508 . . . . 1.3700000000000001 111.191 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.37 -23.23 71.69 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 114.292 -1.322 . . . . 1.51 112.487 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.26 -23.13 66.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.881 0.848 . . . . 2.0800000000000001 110.348 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.668 0 CA-C-N 114.513 -1.222 . . . . 3.21 109.325 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.439 -1.106 0 N-CA-C 114.532 0.573 . . . . 2.8199999999999998 114.532 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.07 28.2 0.09 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.964 0.887 . . . . 3.5800000000000001 110.661 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.009 0 CA-C-N 114.329 -1.305 . . . . 3.27 108.35 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.7 mp . . . . . 0 N--CA 1.442 -0.834 0 N-CA-C 109.128 -0.693 . . . . 1.6599999999999999 109.128 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 29.0 m . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.039 -0.982 . . . . 1.1100000000000001 113.003 -178.569 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.577 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.4 Cg_endo . . . . . 0 CA--C 1.513 -0.553 0 N-CA-C 109.592 -0.965 . . . . 1.3700000000000001 109.592 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.69 -22.07 73.31 Favored Glycine 0 N--CA 1.436 -1.315 0 CA-C-N 114.329 -1.305 . . . . 1.51 112.054 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 m -63.31 -28.48 70.04 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.414 0.626 . . . . 2.0800000000000001 110.636 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.772 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.9 mmmm . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 114.962 -1.017 . . . . 3.21 109.629 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.103 0 N-CA-C 112.783 -0.127 . . . . 2.8199999999999998 112.783 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.24 1.32 9.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.62 0.724 . . . . 3.5800000000000001 110.683 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' N' ' 12' ' ' LYS . 1.3 mt . . . . . 0 C--N 1.318 -0.77 0 CA-C-N 115.097 -0.956 . . . . 3.27 110.412 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 6.3 mt . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 109.703 -0.48 . . . . 1.6599999999999999 109.703 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.492 -0.776 . . . . 1.1100000000000001 112.142 -178.562 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.51 -0.691 0 N-CA-C 109.77 -0.896 . . . . 1.3700000000000001 109.77 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.96 -18.37 78.84 Favored Glycine 0 N--CA 1.429 -1.768 0 CA-C-N 114.042 -1.436 . . . . 1.51 112.078 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.2 m -61.27 -31.62 71.43 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.747 0.784 . . . . 2.0800000000000001 111.227 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.306 -1.297 0 CA-C-N 114.752 -1.113 . . . . 3.21 109.402 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.117 0 N-CA-C 115.693 1.037 . . . . 2.8199999999999998 115.693 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.95 -29.92 7.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.821 -1.19 . . . . 3.5800000000000001 109.322 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 13.7 mt . . . . . 0 CA--C 1.506 -0.736 0 N-CA-C 107.801 -1.185 . . . . 3.27 107.801 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.616 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 2.6 mp . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.929 -0.767 . . . . 1.6599999999999999 108.929 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.593 -1.185 . . . . 1.1100000000000001 113.604 -178.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.616 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo . . . . . 0 CA--C 1.512 -0.603 0 N-CA-C 110.115 -0.764 . . . . 1.3700000000000001 110.115 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.7 -26.21 74.63 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.896 -1.047 . . . . 1.51 111.154 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 m -62.56 -28.5 69.91 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.029 0.918 . . . . 2.0800000000000001 109.939 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.2 mmmm . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 114.146 -1.388 . . . . 3.21 108.257 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.432 -1.604 0 N-CA-C 115.041 0.777 . . . . 2.8199999999999998 115.041 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.16 29.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.896 0.855 . . . . 3.5800000000000001 111.04 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' N' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.31 -1.111 0 CA-C-N 114.138 -1.392 . . . . 3.27 107.924 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.59 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.4 mp . . . . . 0 N--CA 1.442 -0.845 0 N-CA-C 108.874 -0.788 . . . . 1.6599999999999999 108.874 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.957 . . . . 1.1100000000000001 112.141 -178.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.59 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 2.0 Cg_endo . . . . . 0 CA--C 1.511 -0.635 0 CA-C-O 122.077 0.782 . . . . 1.3700000000000001 110.236 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.92 -15.67 81.44 Favored Glycine 0 N--CA 1.432 -1.6 0 CA-C-N 114.137 -1.392 . . . . 1.51 112.586 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 57.8 m -63.69 -23.06 67.22 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.904 0.859 . . . . 2.0800000000000001 111.519 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.496 0 CA-C-N 114.612 -1.177 . . . . 3.21 109.864 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.021 0 N-CA-C 114.559 0.584 . . . . 2.8199999999999998 114.559 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.45 16.4 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.443 0.697 . . . . 3.5800000000000001 111.427 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 1.6 mt . . . . . 0 C--N 1.316 -0.871 0 CA-C-N 114.953 -1.022 . . . . 3.27 109.495 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.565 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 1.2 mp . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 109.397 -0.594 . . . . 1.6599999999999999 109.397 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 1.1100000000000001 112.42 -178.887 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.565 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 2.7 Cg_endo . . . . . 0 CA--C 1.511 -0.635 0 N-CA-C 109.757 -0.901 . . . . 1.3700000000000001 109.757 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.25 -26.22 72.52 Favored Glycine 0 N--CA 1.432 -1.632 0 CA-C-N 113.752 -1.567 . . . . 1.51 111.974 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 m -59.72 -27.75 66.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.537 0.684 . . . . 2.0800000000000001 110.704 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.9 mmmt . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 114.865 -1.061 . . . . 3.21 109.393 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.467 0 CA-C-O 120.692 0.051 . . . . 2.8199999999999998 113.159 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.27 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.184 0.516 . . . . 3.5800000000000001 110.815 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' N' ' 12' ' ' LYS . 6.0 mt . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.868 . . . . 3.27 110.135 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.588 HD12 ' HG2' ' N' ' 9' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.651 0 N-CA-C 108.818 -0.808 . . . . 1.6599999999999999 108.818 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.367 -0.833 . . . . 1.1100000000000001 113.174 -178.643 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.588 ' HG2' HD12 ' N' ' 6' ' ' LEU . 6.9 Cg_endo . . . . . 0 CA--C 1.513 -0.532 0 N-CA-C 110.235 -0.717 . . . . 1.3700000000000001 110.235 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.7 -15.58 68.96 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 114.479 -1.237 . . . . 1.51 112.517 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 32.0 m -66.94 -27.19 67.27 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.346 0.593 . . . . 2.0800000000000001 110.89 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.2 mmmm . . . . . 0 C--N 1.313 -0.981 0 CA-C-N 115.095 -0.957 . . . . 3.21 109.948 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.436 -1.33 0 N-CA-C 114.553 0.581 . . . . 2.8199999999999998 114.553 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.73 28.51 0.13 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.809 0.814 . . . . 3.5800000000000001 110.616 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.313 -0.999 0 CA-C-N 114.57 -1.195 . . . . 3.27 108.699 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.5 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.4 mp . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 109.084 -0.71 . . . . 1.6599999999999999 109.084 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.172 -0.922 . . . . 1.1100000000000001 112.328 -178.762 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.5 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 4.2 Cg_exo . . . . . 0 CA--C 1.512 -0.592 0 CA-C-O 122.139 0.808 . . . . 1.3700000000000001 110.434 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.8 -12.8 84.22 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 114.128 -1.396 . . . . 1.51 112.633 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.83 -23.35 66.03 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.33 0.586 . . . . 2.0800000000000001 110.744 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' N' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 114.985 -1.007 . . . . 3.21 111.115 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.441 -1.015 0 CA-C-O 120.219 -0.212 . . . . 2.8199999999999998 113.178 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.6 37.21 0.22 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.422 1.106 . . . . 3.5800000000000001 110.122 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.312 -1.025 0 CA-C-N 113.598 -1.637 . . . . 3.27 108.373 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.68 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.431 0 N-CA-C 108.862 -0.792 . . . . 1.6599999999999999 108.862 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.321 -0.674 0 N-CA-C 112.818 0.673 . . . . 1.1100000000000001 112.818 -178.879 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.68 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.8 Cg_exo . . . . . 0 CA--C 1.509 -0.766 0 N-CA-C 109.937 -0.832 . . . . 1.3700000000000001 109.937 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.57 -12.56 77.63 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 113.879 -1.509 . . . . 1.51 112.051 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 61.3 m -66.88 -29.73 69.71 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.624 0.726 . . . . 2.0800000000000001 110.206 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.311 -1.095 0 CA-C-N 114.638 -1.164 . . . . 3.21 109.521 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.439 -1.154 0 N-CA-C 113.677 0.231 . . . . 2.8199999999999998 113.677 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.18 28.35 0.19 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.546 0.688 . . . . 3.5800000000000001 110.979 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' N' ' 12' ' ' LYS . 4.5 mt . . . . . 0 C--N 1.316 -0.885 0 CA-C-N 114.947 -1.024 . . . . 3.27 108.972 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 15.0 mt . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 109.638 -0.504 . . . . 1.6599999999999999 109.638 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 45.7 m . . . . . 0 C--N 1.318 -0.78 0 CA-C-N 115.485 -0.779 . . . . 1.1100000000000001 113.07 -178.78 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.573 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.5 Cg_endo . . . . . 0 CA--C 1.511 -0.648 0 N-CA-C 109.99 -0.812 . . . . 1.3700000000000001 109.99 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.9 -16.43 66.18 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.77 -1.105 . . . . 1.51 112.244 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 m -70.28 -26.19 63.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.145 0.498 . . . . 2.0800000000000001 111.404 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 12' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' N' ' 12' ' ' LYS . 3.4 mmmt . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.518 -0.765 . . . . 3.21 110.565 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 14' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.44 -1.057 0 N-CA-C 113.715 0.246 . . . . 2.8199999999999998 113.715 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.86 29.7 0.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.856 0.836 . . . . 3.5800000000000001 110.366 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 16' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.311 -1.094 0 CA-C-N 114.377 -1.283 . . . . 3.27 108.196 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.633 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.826 ' O6 ' ' H1 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 112.228 0.455 . . . . 2.2200000000000002 112.228 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.598 ' OXT' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.53 ' HG3' ' H81' ' L' ' 1' ' ' NAG . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 113.423 0.898 . . . . 3.5499999999999998 113.423 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . 0.634 ' HB1' HD11 ' N' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . 0.624 ' HB2' ' HA2' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.62 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.288 -0.634 . . . . 2.1000000000000001 109.288 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.733 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 2.9 mp -110.22 -20.67 6.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 107.462 -1.31 . . . . 1.54 107.462 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.741 HD13 ' H51' ' N' ' 35' ' ' FPP . 0.2 OUTLIER -93.41 71.79 4.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.408 -0.814 . . . . 1.6599999999999999 108.948 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 13.6 m -63.12 100.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.26 -0.882 . . . . 1.1100000000000001 112.577 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.431 ' HG2' ' O ' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.73 ' HG2' ' H52' ' N' ' 35' ' ' FPP . 5.4 Cg_endo -55.12 -28.72 62.29 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 C-N-CA 121.767 1.645 . . . . 1.3700000000000001 110.19 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.972 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -85.93 -13.33 69.54 Favored Glycine 0 N--CA 1.433 -1.525 0 CA-C-N 115.062 -0.972 . . . . 1.51 111.933 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.534 ' HA ' HD11 ' N' ' 1' ' ' ILE . 57.1 m -66.38 -28.55 68.73 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.166 0.508 . . . . 2.0800000000000001 111.429 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.3 1.93 0.4 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.855 -0.612 . . . . 3.21 112.156 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.423 ' HA ' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.38 -153.32 22.67 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.103 -1.046 . . . . 2.8199999999999998 115.29 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.32 -6.64 3.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.391 0.676 . . . . 3.5800000000000001 111.814 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.634 HD11 ' HB1' ' L' ' 6' ' ' DAL . 1.5 mt -78.33 -13.13 59.98 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.179 -0.919 . . . . 3.27 109.717 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.463 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -154.38 -46.71 0.09 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.804 -0.635 . . . . 3.75 112.232 -179.258 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.62 17.97 43.11 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 108.159 -1.977 . . . . 2.98 108.159 -175.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.411 ' N ' ' HB2' ' N' ' 13' ' ' DBB . 61.7 m 63.18 82.9 0.17 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 113.953 -1.124 . . . . 2.9700000000000002 109.467 -178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.463 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 0.4 OUTLIER -57.88 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.861 -1.063 . . . . 4.54 111.983 -178.356 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 79.0 mtp 63.07 6.27 2.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.389 0.676 . . . . 6.8899999999999997 112.161 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -91.58 156.79 17.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.148 0.499 . . . . 5.8600000000000003 111.113 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.538 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.56 72.36 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.878 -0.601 . . . . 9.75 110.736 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.44 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.538 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 28.7 m -71.79 -23.3 61.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.645 0.735 . . . . 11.27 109.177 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -116.04 22.75 12.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.771 -1.104 . . . . 13.9 108.934 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 11.3 m -85.3 63.05 7.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.846 -1.07 . . . . 14.130000000000001 110.812 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.29 -9.57 58.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.786 -0.643 . . . . 16.68 109.558 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pp -46.99 126.64 2.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 114.566 -1.197 . . . . 15.83 112.411 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -126.21 -82.45 0.62 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.589 -0.732 . . . . 19.329999999999998 110.062 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.46 -0.67 8.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.483 -0.781 . . . . 21.0 110.278 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' N' ' 34' ' ' LYS . 8.5 ttpp . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.251 -0.88 . . . . 23.309999999999999 110.097 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.972 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.633 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.633 ' O3 ' ' C1 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.408 0 CA-C-O 120.876 0.369 . . . . 2.2200000000000002 111.233 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.665 ' C ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.49 ' HG3' ' H62' ' L' ' 2' ' ' MUB . 46.1 mtmt . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 111.635 0.235 . . . . 3.5499999999999998 111.635 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' N' ' 11' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.937 -0.394 . . . . 2.1000000000000001 109.937 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.473 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 2.8 mp -105.15 -32.13 2.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 107.329 -1.36 . . . . 1.54 107.329 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.0 mp -87.93 73.8 9.09 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.796 -1.093 . . . . 1.6599999999999999 109.101 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.599 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 13.3 m -63.73 106.41 0.98 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.228 -0.896 . . . . 1.1100000000000001 111.927 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.465 ' HG2' ' O ' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.719 ' HG2' ' H51' ' N' ' 35' ' ' FPP . 1.2 Cg_endo -51.88 -39.03 69.24 Favored 'Trans proline' 0 CA--C 1.512 -0.586 0 C-N-CA 122.156 1.904 . . . . 1.3700000000000001 110.427 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.795 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -81.5 -12.86 81.28 Favored Glycine 0 N--CA 1.431 -1.641 0 CA-C-N 114.406 -1.27 . . . . 1.51 112.727 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.703 ' HA ' HD11 ' N' ' 1' ' ' ILE . 75.8 m -58.36 -39.33 79.27 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.101 0.477 . . . . 2.0800000000000001 111.726 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 8.79 11.27 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.419 -0.809 . . . . 3.21 111.138 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.554 ' HG1' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.47 -149.16 4.99 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 120.426 -0.892 . . . . 2.8199999999999998 113.499 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -1.94 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.652 0.739 . . . . 3.5800000000000001 110.944 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.69 -5.7 59.05 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.704 -1.135 . . . . 3.27 110.223 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -160.0 -33.77 0.06 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 112.628 0.603 . . . . 3.75 112.628 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.7 13.68 72.07 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 107.928 -2.069 . . . . 2.98 107.928 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.554 ' HA ' ' HG1' ' N' ' 13' ' ' DBB . 47.7 m 65.39 91.33 0.08 Allowed 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 113.473 -1.363 . . . . 2.9700000000000002 110.421 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.572 ' OD1' ' HG3' ' N' ' 22' ' ' LYS . 24.4 t-20 -54.67 -29.51 52.93 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.287 -1.324 . . . . 4.54 112.319 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . 0.527 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 81.5 mtp 73.82 39.53 0.53 Allowed 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.121 -0.696 . . . . 6.8899999999999997 109.121 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' OD1' ' N' ' 20' ' ' ASN . 13.7 mtpp -62.89 119.2 8.94 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.377 -0.829 . . . . 5.8600000000000003 112.789 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.49 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.84 59.34 5.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.623 -0.717 . . . . 9.75 110.599 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.524 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.49 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 4.0 m -68.11 -28.78 67.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.479 -0.934 . . . . 11.27 108.479 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -107.08 19.23 20.7 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 114.175 -1.375 . . . . 13.9 109.184 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 26.5 m -90.11 137.48 32.31 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.046 -0.979 . . . . 14.130000000000001 110.014 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 36.5 m -81.06 59.7 3.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.215 0.531 . . . . 16.68 110.335 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 43.7 mt -77.61 133.05 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.411 -0.813 . . . . 15.83 111.069 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -131.47 152.1 50.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.87 -0.604 . . . . 19.329999999999998 110.383 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.59 99.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.101 0.477 . . . . 21.0 110.24 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' N' ' 34' ' ' LYS . 10.3 tptp . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.07 -0.967 . . . . 23.309999999999999 109.74 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.795 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.662 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.983 ' H62' ' HG3' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.404 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.514 -0.422 0 CA-C-O 121.338 0.589 . . . . 2.2200000000000002 110.558 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.983 ' HG3' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.49 ' N ' ' HO6' ' L' ' 2' ' ' MUB . 53.2 mtmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 111.589 0.218 . . . . 3.5499999999999998 111.589 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . 0.643 ' C ' ' HA3' ' N' ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 1.03 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.9 mt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.433 -0.21 . . . . 2.1000000000000001 110.433 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.77 -31.9 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.296 -1.001 . . . . 1.54 108.296 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.699 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.1 OUTLIER -86.53 78.08 9.27 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.381 -0.97 . . . . 1.6599999999999999 108.381 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.749 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 16.7 m -61.77 111.43 1.86 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.986 -0.552 . . . . 1.1100000000000001 112.251 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.414 ' O ' ' HB2' ' N' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.943 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 5.5 Cg_exo -53.58 -43.35 58.43 Favored 'Trans proline' 0 CA--C 1.508 -0.806 0 C-N-CA 121.269 1.313 . . . . 1.3700000000000001 109.574 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -12.98 70.46 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 114.036 -1.438 . . . . 1.51 112.447 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.415 ' N ' HD11 ' N' ' 1' ' ' ILE . 56.6 m -69.16 -26.23 64.76 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.442 0.639 . . . . 2.0800000000000001 110.412 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 2.0 mmmt -126.64 6.26 6.8 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.834 -1.076 . . . . 3.21 110.592 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.41 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . 0.643 ' HA3' ' C ' ' L' ' 7' ' ' DAL . . . -152.4 -147.16 4.52 Favored Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 119.945 -1.122 . . . . 2.8199999999999998 114.392 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.46 -15.94 62.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.444 0.64 . . . . 3.5800000000000001 110.647 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 5.0 mt -69.51 -25.82 64.23 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.92 -1.036 . . . . 3.27 111.059 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.56 ' HG3' HD22 ' N' ' 20' ' ' ASN . 1.0 OUTLIER -138.14 -30.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.89 0.7 . . . . 3.75 112.89 -177.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.3 18.73 68.33 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 107.544 -2.223 . . . . 2.98 107.544 -175.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 64.9 m 60.11 79.16 0.25 Allowed 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 113.388 -1.406 . . . . 2.9700000000000002 109.673 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.56 HD22 ' HG3' ' N' ' 17' ' ' MET . 0.5 OUTLIER -68.09 -80.1 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.179 -1.373 . . . . 4.54 111.853 -177.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 61.0 mtt 75.27 -31.16 0.2 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.34 0.656 . . . . 6.8899999999999997 110.362 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . 0.493 ' H ' ' C ' ' N' ' 20' ' ' ASN . 17.9 pttt -90.55 167.18 12.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.363 -0.835 . . . . 5.8600000000000003 109.708 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.486 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.37 74.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.811 -0.631 . . . . 9.75 109.781 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.58 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.486 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 29.5 m -68.62 -30.59 69.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.459 -0.791 . . . . 11.27 110.379 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -111.97 20.56 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.808 -0.812 . . . . 13.9 108.808 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.58 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 1.7 m -74.19 139.25 44.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.589 -1.187 . . . . 14.130000000000001 111.159 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 12.4 m -79.47 -7.79 58.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.425 0.631 . . . . 16.68 110.223 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 pt -90.11 55.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.62 -0.718 . . . . 15.83 111.022 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -114.21 -60.67 1.85 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.506 0.669 . . . . 19.329999999999998 110.012 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -124.39 7.09 4.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 115.35 -0.841 . . . . 21.0 110.343 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.113 -0.946 . . . . 23.309999999999999 109.866 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 1.03 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.783 ' O7 ' ' H3 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 1.021 ' H5 ' ' HD3' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.459 ' HA ' ' C8 ' ' L' ' 1' ' ' NAG . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 112.622 0.601 . . . . 2.2200000000000002 112.622 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.853 ' OE1' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 1.021 ' HD3' ' H5 ' ' L' ' 2' ' ' MUB . 6.1 mtpt . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 112.038 0.384 . . . . 3.5499999999999998 112.038 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.83 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.5 mm . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 109.742 -0.466 . . . . 2.1000000000000001 109.742 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.582 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 6.3 mt -119.17 -33.9 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.895 -1.048 . . . . 1.54 108.581 177.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.633 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.6 OUTLIER -101.79 68.85 1.17 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.889 -0.782 . . . . 1.6599999999999999 108.889 179.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.531 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 22.3 m -63.52 99.1 0.19 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.764 -0.653 . . . . 1.1100000000000001 112.566 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.909 ' HG2' ' H52' ' N' ' 35' ' ' FPP . 3.6 Cg_endo -57.34 -28.76 81.51 Favored 'Trans proline' 0 CA--C 1.511 -0.648 0 C-N-CA 121.667 1.578 . . . . 1.3700000000000001 110.378 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.853 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -85.11 -10.74 77.65 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 114.76 -1.109 . . . . 1.51 111.431 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.99 -37.73 81.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.156 0.503 . . . . 2.0800000000000001 111.865 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.0 OUTLIER -134.36 9.13 3.71 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.876 -0.602 . . . . 3.21 111.264 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.407 ' CG ' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.65 -151.99 5.6 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 119.802 -1.19 . . . . 2.8199999999999998 114.748 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.31 -15.56 57.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.383 0.611 . . . . 3.5800000000000001 111.37 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' N' ' 12' ' ' LYS . 2.9 mt -72.06 -16.52 62.04 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.139 -0.937 . . . . 3.27 110.897 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -150.61 -36.02 0.15 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.368 0.877 . . . . 3.75 113.368 -177.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.72 12.44 64.32 Favored Glycine 0 N--CA 1.441 -1.026 0 N-CA-C 107.712 -2.155 . . . . 2.98 107.712 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' CG ' ' N' ' 13' ' ' DBB . 54.6 m 70.22 87.97 0.11 Allowed 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 113.312 -1.444 . . . . 2.9700000000000002 110.47 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' N' ' 21' ' ' MET . 33.8 t30 -78.31 -39.91 38.3 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 113.979 -1.464 . . . . 4.54 110.519 -178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . 0.436 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 87.9 mtp 74.53 -49.92 0.67 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.16 -0.927 . . . . 6.8899999999999997 111.084 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -78.95 148.43 32.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.93 0.395 . . . . 5.8600000000000003 110.544 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.5 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.74 59.09 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.411 0.624 . . . . 9.75 111.229 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.515 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.5 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 2.9 m -69.0 -25.54 64.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.676 -0.861 . . . . 11.27 108.676 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -112.64 23.36 13.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.641 -1.163 . . . . 13.9 109.131 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.515 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 15.2 m -90.69 117.58 29.45 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 114.81 -1.086 . . . . 14.130000000000001 110.593 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -88.3 25.79 1.57 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.186 0.517 . . . . 16.68 110.047 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 22.5 mt -71.61 101.69 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.639 -0.709 . . . . 15.83 110.592 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -126.04 -35.81 2.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.239 0.542 . . . . 19.329999999999998 110.43 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.96 93.6 2.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.366 -0.834 . . . . 21.0 110.134 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.421 -0.799 . . . . 23.309999999999999 109.553 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.909 ' H52' ' HG2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.573 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.864 ' H81' ' HB ' ' N' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.57 0 N-CA-C 113.14 0.792 . . . . 2.2200000000000002 113.14 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.758 ' HXT' ' N ' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.758 ' N ' ' HXT' ' L' ' 4' ' ' FGA . 19.5 mtpt . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.158 0.504 . . . . 3.5499999999999998 111.767 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 1.014 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.3 mt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 110.01 -0.367 . . . . 2.1000000000000001 110.01 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.864 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 3.6 mp -125.88 -29.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.569 -0.9 . . . . 1.54 108.569 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.474 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.3 OUTLIER -132.93 55.27 1.91 Allowed 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.158 -0.928 . . . . 1.6599999999999999 109.983 179.609 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.684 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 1.3 m -41.38 119.5 1.23 Allowed 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 113.01 0.745 . . . . 1.1100000000000001 113.01 -177.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.439 ' O ' ' HB2' ' N' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.897 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 4.8 Cg_exo -56.49 -45.72 35.28 Favored 'Trans proline' 0 CA--C 1.507 -0.866 0 C-N-CA 121.442 1.428 . . . . 1.3700000000000001 109.213 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.11 -17.19 67.65 Favored Glycine 0 N--CA 1.431 -1.636 0 CA-C-N 113.749 -1.569 . . . . 1.51 112.153 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' N' ' 8' ' ' DBB . 58.9 m -65.96 -28.47 68.93 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.926 0.87 . . . . 2.0800000000000001 110.448 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 0.1 OUTLIER -120.46 22.14 11.38 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.28 -1.327 . . . . 3.21 109.119 -179.7 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.548 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.35 -142.77 3.8 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 119.236 -1.459 . . . . 2.8199999999999998 115.267 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.07 -2.31 36.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.513 0.673 . . . . 3.5800000000000001 110.611 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -82.34 -12.86 57.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.129 -0.941 . . . . 3.27 109.125 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.99 -57.69 0.19 Allowed 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.807 -1.088 . . . . 3.75 111.743 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.44 9.66 14.53 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 109.239 -1.545 . . . . 2.98 109.239 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.441 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 85.6 m 65.63 70.83 0.44 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 114.164 -1.018 . . . . 2.9700000000000002 111.002 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 70.51 -81.51 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.295 -1.321 . . . . 4.54 111.488 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 40.3 mtt 62.4 17.37 9.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.092 0.473 . . . . 6.8899999999999997 111.304 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -90.52 163.78 14.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.927 -0.579 . . . . 5.8600000000000003 110.225 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.48 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 62.31 4.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.373 0.606 . . . . 9.75 111.16 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.541 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.48 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 2.8 m -69.69 -24.64 63.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.712 0.768 . . . . 11.27 109.189 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -116.02 27.32 9.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.622 -1.172 . . . . 13.9 108.861 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.541 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 3.7 m -87.73 -169.61 2.66 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.558 -1.201 . . . . 14.130000000000001 110.682 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -66.22 104.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.364 -0.38 . . . . 16.68 111.129 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -90.0 144.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.583 -0.525 . . . . 15.83 109.583 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -127.13 104.99 8.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.913 0.387 . . . . 19.329999999999998 111.436 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 19.3 t -81.05 111.21 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.921 -0.581 . . . . 21.0 109.668 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.306 -0.854 . . . . 23.309999999999999 110.303 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 1.014 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.657 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 1.068 ' H62' ' HG3' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.5 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.515 -0.386 0 CA-C-O 121.591 0.71 . . . . 2.2200000000000002 110.088 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 1.068 ' HG3' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' L' ' 5' ' ' LYS . 20.5 mtmt . . . . . 0 N--CA 1.444 -0.754 0 CA-C-O 120.812 0.339 . . . . 3.5499999999999998 110.556 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.866 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.943 -0.392 . . . . 2.1000000000000001 109.943 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -102.04 -44.43 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.044 0.449 . . . . 1.54 110.363 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.675 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 3.9 mp -95.39 73.05 3.27 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.192 -1.04 . . . . 1.6599999999999999 108.192 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 90.44 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.43 -1.259 . . . . 1.1100000000000001 113.103 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.405 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.625 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.0 Cg_endo -54.91 -33.2 81.38 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.722 1.615 . . . . 1.3700000000000001 110.491 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.879 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -79.42 -14.35 81.55 Favored Glycine 0 N--CA 1.434 -1.495 0 CA-C-N 114.386 -1.279 . . . . 1.51 111.749 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 38.0 m -68.78 -37.46 79.33 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.269 0.557 . . . . 2.0800000000000001 111.152 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' N' ' 14' ' ' GLY . 0.4 OUTLIER -112.68 -4.08 14.16 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.381 -0.827 . . . . 3.21 110.177 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.414 ' HG1' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' N' ' 12' ' ' LYS . . . -131.4 -154.35 7.8 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.736 -0.745 . . . . 2.8199999999999998 113.647 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.57 -10.17 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.546 0.689 . . . . 3.5800000000000001 111.522 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -77.59 -10.48 59.53 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.307 -0.861 . . . . 3.27 109.769 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.422 ' HB3' ' H ' ' N' ' 19' ' ' CYS . 0.4 OUTLIER -152.97 -42.41 0.1 Allowed 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 113.097 0.777 . . . . 3.75 113.097 -179.273 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.91 12.19 68.97 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 107.594 -2.202 . . . . 2.98 107.594 -175.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' N' ' 20' ' ' ASN . 88.4 m 68.53 14.47 9.08 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 113.128 -1.536 . . . . 2.9700000000000002 111.961 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' N' ' 21' ' ' MET . 11.2 t-20 174.42 -23.2 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.284 -0.416 . . . . 4.54 111.595 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 73.6 mtm 77.42 12.62 2.04 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.23 0.612 . . . . 6.8899999999999997 111.116 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . 0.445 ' HG3' ' OD1' ' N' ' 20' ' ' ASN . 3.0 mtmm -68.11 114.98 7.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.419 -0.355 . . . . 5.8600000000000003 110.727 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.85 86.72 2.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.591 . . . . 9.75 110.145 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.678 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.46 -31.87 67.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.926 -1.033 . . . . 11.27 109.104 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -103.57 18.32 22.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.536 -1.211 . . . . 13.9 108.672 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.678 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 2.3 m -77.38 109.99 11.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.773 -1.103 . . . . 14.130000000000001 110.77 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.29 79.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.123 -0.49 . . . . 16.68 110.48 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 5.9 mt -91.79 32.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.7 0.762 . . . . 15.83 110.15 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -132.2 154.58 49.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.667 -0.697 . . . . 19.329999999999998 109.589 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 4.8 t -106.0 -3.93 9.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.802 0.811 . . . . 21.0 109.823 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 tptm . . . . . 0 C--O 1.246 0.869 0 CA-C-O 117.882 -1.056 . . . . 23.309999999999999 109.537 179.557 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.879 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.523 ' O5 ' ' H3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.834 ' C10' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.72 ' HB2' HG23 ' N' ' 1' ' ' ILE . . . . . . . . 0 CA--C 1.513 -0.448 0 N-CA-C 108.623 -0.88 . . . . 2.2200000000000002 108.623 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' L' ' 5' ' ' LYS . 3.5 mtpt . . . . . 0 CA--C 1.503 -0.833 0 N-CA-C 108.435 -0.95 . . . . 3.5499999999999998 108.435 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . 0.41 ' N ' ' HB1' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . 0.423 ' O ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 1.005 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.55 -0.167 . . . . 2.1000000000000001 110.55 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.617 ' HB ' ' H83' ' L' ' 2' ' ' MUB . 3.6 mt -121.85 -39.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.576 -0.527 . . . . 1.54 109.576 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.648 HD13 ' H61' ' N' ' 35' ' ' FPP . 1.0 OUTLIER -97.52 64.79 1.86 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.857 -0.794 . . . . 1.6599999999999999 108.857 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 99.45 0.07 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.182 1.179 . . . . 1.1100000000000001 114.182 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.427 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo -54.2 -39.37 86.59 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 121.822 1.681 . . . . 1.3700000000000001 110.386 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.774 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -74.4 -15.08 80.44 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.655 -1.157 . . . . 1.51 111.86 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 39.2 m -66.49 -26.13 67.03 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.462 0.648 . . . . 2.0800000000000001 110.351 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' N' ' 16' ' ' LEU . 4.1 mmmt -117.9 13.53 14.04 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.518 -1.219 . . . . 3.21 109.382 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.595 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.07 -142.93 3.52 Favored Glycine 0 N--CA 1.44 -1.038 0 C-N-CA 121.289 -0.481 . . . . 2.8199999999999998 112.839 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.25 -3.71 28.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.343 0.592 . . . . 3.5800000000000001 110.593 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' N' ' 12' ' ' LYS . 4.4 mt -80.55 -26.11 38.2 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.139 -0.937 . . . . 3.27 109.699 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.511 ' HB2' ' O ' ' N' ' 12' ' ' LYS . 0.7 OUTLIER -136.07 -58.47 0.75 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.706 -0.679 . . . . 3.75 111.293 -179.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.07 -17.08 9.24 Favored Glycine 0 N--CA 1.443 -0.873 0 N-CA-C 109.933 -1.267 . . . . 2.98 109.933 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m 64.8 177.59 0.19 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.473 -0.864 . . . . 2.9700000000000002 111.542 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' N' ' 21' ' ' MET . 0.9 OUTLIER -119.19 -71.63 0.73 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.424 -0.353 . . . . 4.54 110.708 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 83.2 mtp 73.57 -47.13 0.65 Allowed 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.859 0.724 . . . . 6.8899999999999997 110.918 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -75.31 109.41 8.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.194 -0.457 . . . . 5.8600000000000003 110.615 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.446 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.81 55.54 3.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.347 0.594 . . . . 9.75 110.472 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.508 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.446 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 3.2 m -66.43 -32.56 74.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.357 -0.838 . . . . 11.27 109.375 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -111.75 26.4 10.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.982 -1.008 . . . . 13.9 109.21 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 5.4 m -85.43 137.65 32.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.785 -1.098 . . . . 14.130000000000001 110.396 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -77.53 109.36 11.4 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.166 -0.47 . . . . 16.68 110.551 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.31 55.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.578 0.704 . . . . 15.83 109.376 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -136.22 140.9 43.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 19.329999999999998 109.606 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 29.2 t -75.83 110.59 11.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.099 -0.5 . . . . 21.0 110.646 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' N' ' 34' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 117.999 -1.0 . . . . 23.309999999999999 109.517 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 1.005 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.641 ' O7 ' ' H3 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.781 ' H3 ' ' O7 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.286 0.565 . . . . 2.2200000000000002 111.684 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.752 ' OXT' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.526 ' HB3' ' HE3' ' L' ' 5' ' ' LYS . 3.4 mtpp . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.313 0.578 . . . . 3.5499999999999998 112.284 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.609 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.843 -0.058 . . . . 2.1000000000000001 110.843 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.575 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 4.6 mp -100.0 -35.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.934 -1.136 . . . . 1.54 107.934 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.522 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -83.72 78.76 9.64 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.561 -0.745 . . . . 1.6599999999999999 109.295 179.113 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.599 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 19.6 m -73.57 111.33 8.61 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.577 -0.738 . . . . 1.1100000000000001 112.467 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.621 ' H ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.621 ' HD2' ' H ' ' N' ' 8' ' ' DBB . 5.5 Cg_endo -51.55 -47.4 26.35 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.951 1.768 . . . . 1.3700000000000001 110.82 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.57 ' CA ' ' H42' ' N' ' 35' ' ' FPP . . . -62.71 -24.24 66.12 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.727 -1.124 . . . . 1.51 111.969 178.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.425 ' HB2' ' HG2' ' N' ' 8' ' ' DBB . 3.0 m -70.1 -20.37 63.2 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.599 0.714 . . . . 2.0800000000000001 110.388 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.5 mmmt -123.82 19.22 9.38 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.712 -1.131 . . . . 3.21 109.124 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.614 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -171.36 -137.97 2.43 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 119.98 -1.105 . . . . 2.8199999999999998 113.98 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.02 21.81 0.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.993 0.901 . . . . 3.5800000000000001 110.02 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.1 OUTLIER -113.34 2.97 15.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.338 -1.301 . . . . 3.27 109.169 -179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.561 ' HG2' ' HG3' ' N' ' 21' ' ' MET . 0.0 OUTLIER -172.3 -30.9 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.481 -0.782 . . . . 3.75 111.991 -177.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.94 9.15 81.32 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 107.099 -2.401 . . . . 2.98 107.099 -174.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.475 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 94.0 m 64.98 22.42 12.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 112.835 -1.683 . . . . 2.9700000000000002 111.958 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' N' ' 21' ' ' MET . 1.6 t-20 179.32 -22.05 0.0 OUTLIER 'General case' 0 C--O 1.231 0.101 0 N-CA-C 112.35 0.5 . . . . 4.54 112.35 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . 0.561 ' HG3' ' HG2' ' N' ' 17' ' ' MET . 90.5 mtp 75.76 -65.11 0.33 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.078 0.551 . . . . 6.8899999999999997 110.489 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.92 118.59 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.612 -0.514 . . . . 5.8600000000000003 109.612 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.517 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.8 75.66 2.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.586 -0.733 . . . . 9.75 111.952 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.517 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 14.0 m -80.33 -15.13 57.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.85 0.833 . . . . 11.27 109.119 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -126.97 35.78 4.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.171 -1.377 . . . . 13.9 107.334 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.94 11.04 33.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.458 -1.247 . . . . 14.130000000000001 111.683 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.71 2.26 51.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.489 0.662 . . . . 16.68 109.68 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.84 153.63 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.048 -0.978 . . . . 15.83 111.007 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -94.91 108.34 20.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.151 -0.477 . . . . 19.329999999999998 109.941 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 6.5 p -98.01 123.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.244 0.545 . . . . 21.0 110.6 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 tttp . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.833 -1.08 . . . . 23.309999999999999 109.496 -179.707 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.609 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.647 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.979 ' H62' ' HG3' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.543 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.34 0.591 . . . . 2.2200000000000002 110.94 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.979 ' HG3' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' L' ' 5' ' ' LYS . 33.4 mtmt . . . . . 0 N--CA 1.441 -0.909 0 CA-C-O 120.716 0.294 . . . . 3.5499999999999998 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 1.06 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.4 OUTLIER . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.265 0.079 . . . . 2.1000000000000001 110.819 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.608 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 4.9 mp -101.85 -34.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.18 -1.044 . . . . 1.54 108.18 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.666 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -84.1 73.99 10.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.546 -0.752 . . . . 1.6599999999999999 109.051 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.728 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 16.7 m -64.48 110.23 2.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.875 -0.602 . . . . 1.1100000000000001 112.035 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.426 ' O ' ' HB2' ' N' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.988 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 6.3 Cg_exo -52.43 -43.7 52.42 Favored 'Trans proline' 0 CA--C 1.511 -0.67 0 C-N-CA 121.956 1.771 . . . . 1.3700000000000001 109.963 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.08 -14.51 76.32 Favored Glycine 0 N--CA 1.431 -1.633 0 CA-C-N 113.727 -1.579 . . . . 1.51 112.447 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.53 ' N ' HD11 ' N' ' 1' ' ' ILE . 62.2 m -64.32 -32.03 73.47 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 121.706 0.765 . . . . 2.0800000000000001 110.419 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' N' ' 13' ' ' DBB . 2.6 mmmt -112.41 7.29 19.08 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 114.779 -1.101 . . . . 3.21 109.995 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.491 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' N' ' 12' ' ' LYS . . . -135.55 -155.27 7.23 Favored Glycine 0 N--CA 1.436 -1.366 0 C-N-CA 120.485 -0.864 . . . . 2.8199999999999998 113.805 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -10.21 48.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.329 0.585 . . . . 3.5800000000000001 111.344 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.461 HD12 ' O ' ' N' ' 11' ' ' CYS . 3.1 mt -76.29 -3.02 34.42 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.317 -0.856 . . . . 3.27 109.887 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.448 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.2 OUTLIER -158.99 -41.37 0.06 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.894 -0.594 . . . . 3.75 112.021 -179.573 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.79 16.53 56.29 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 108.242 -1.943 . . . . 2.98 108.242 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 95.0 m 63.11 88.32 0.1 Allowed 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 113.897 -1.152 . . . . 2.9700000000000002 110.078 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.448 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 9.0 t30 -53.63 -52.03 61.21 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.04 -1.436 . . . . 4.54 111.601 -178.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 31.8 mtt 72.13 -49.53 0.69 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.518 0.727 . . . . 6.8899999999999997 111.743 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -64.18 133.21 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.327 0.584 . . . . 5.8600000000000003 110.92 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.42 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.01 94.42 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.914 -0.584 . . . . 9.75 109.475 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.571 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.42 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 72.2 m -77.93 -22.21 49.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.208 -0.906 . . . . 11.27 109.537 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -110.81 14.81 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.028 -0.987 . . . . 13.9 108.43 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.571 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 5.8 m -76.38 133.33 39.95 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.256 -1.338 . . . . 14.130000000000001 110.508 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -70.28 108.46 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.457 -0.338 . . . . 16.68 110.192 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 21.0 mt -83.89 86.3 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.059 0.457 . . . . 15.83 111.066 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.83 116.69 4.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.792 -0.64 . . . . 19.329999999999998 109.366 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 6.5 p -77.31 113.76 16.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.464 0.649 . . . . 21.0 110.772 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 48.8 tttp . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.769 -0.634 . . . . 23.309999999999999 109.493 179.648 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 1.06 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.651 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.954 ' H62' ' C ' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.548 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.382 0.61 . . . . 2.2200000000000002 111.102 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.954 ' C ' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.489 ' HB3' ' HE3' ' L' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 112.391 0.515 . . . . 3.5499999999999998 112.391 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.734 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.795 -0.446 . . . . 2.1000000000000001 109.795 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.412 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 6.5 mt -106.41 -27.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.797 -1.186 . . . . 1.54 107.797 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.782 HD13 ' H62' ' N' ' 35' ' ' FPP . 3.5 mp -88.59 74.94 8.38 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.601 -1.181 . . . . 1.6599999999999999 108.797 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.61 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 21.7 m -66.18 105.84 1.5 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.642 -0.708 . . . . 1.1100000000000001 112.839 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.477 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.578 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 9.5 Cg_endo -56.06 -30.53 79.05 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 121.883 1.722 . . . . 1.3700000000000001 110.685 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.596 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -83.44 -6.76 87.28 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.238 -0.892 . . . . 1.51 111.749 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 20.4 m -78.82 -34.43 45.28 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 112.088 0.403 . . . . 2.0800000000000001 112.088 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.8 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.0 OUTLIER -140.84 14.19 2.29 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.212 -0.449 . . . . 3.21 111.411 -179.346 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.436 ' HG1' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.06 -141.65 3.18 Favored Glycine 0 N--CA 1.438 -1.205 0 C-N-CA 120.104 -1.046 . . . . 2.8199999999999998 113.366 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.01 -0.01 12.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.68 0.753 . . . . 3.5800000000000001 110.768 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' N' ' 12' ' ' LYS . 0.6 OUTLIER -89.58 -1.86 58.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.586 -1.188 . . . . 3.27 110.29 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.552 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -163.81 -42.48 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.498 0.666 . . . . 3.75 112.206 -178.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.7 11.44 56.83 Favored Glycine 0 N--CA 1.438 -1.23 0 N-CA-C 106.476 -2.649 . . . . 2.98 106.476 -174.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.436 ' HA ' ' HG1' ' N' ' 13' ' ' DBB . 58.0 m 65.03 77.38 0.31 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 112.81 -1.695 . . . . 2.9700000000000002 109.755 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.552 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 15.9 m-20 -68.84 -85.39 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.398 -0.819 . . . . 4.54 110.494 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 86.4 mtp 62.16 9.49 3.2 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.895 0.478 . . . . 6.8899999999999997 112.055 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . 0.414 ' H ' ' HG3' ' N' ' 22' ' ' LYS . 0.1 OUTLIER -90.48 162.96 14.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.36 . . . . 5.8600000000000003 110.14 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.523 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.92 62.67 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.426 0.632 . . . . 9.75 110.771 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.479 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.523 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 11.0 m -67.85 -30.37 69.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.687 0.756 . . . . 11.27 109.18 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -109.98 21.27 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.996 -1.002 . . . . 13.9 109.356 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 11.5 m -83.89 135.88 34.32 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.036 -0.984 . . . . 14.130000000000001 110.558 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -78.36 103.54 8.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.276 -0.42 . . . . 16.68 110.384 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 13.4 mt -96.19 118.32 42.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 15.83 109.823 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -120.44 141.56 50.04 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.124 0.488 . . . . 19.329999999999998 111.908 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.99 114.69 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 N-CA-C 108.692 -0.855 . . . . 21.0 108.692 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.489 -0.767 . . . . 23.309999999999999 109.544 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.782 ' H62' HD13 ' N' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.513 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.837 ' C10' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.64 ' HB2' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 120.676 0.275 . . . . 2.2200000000000002 111.064 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.48 ' C ' ' HG2' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.48 ' HG2' ' C ' ' L' ' 4' ' ' FGA . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.096 -0.705 . . . . 3.5499999999999998 109.096 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.507 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.705 -0.48 . . . . 2.1000000000000001 109.705 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.496 ' HB ' ' H83' ' L' ' 2' ' ' MUB . 2.8 mt -104.99 -30.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.002 -0.74 . . . . 1.54 109.002 178.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.572 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -89.93 74.41 7.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.593 -0.892 . . . . 1.6599999999999999 108.593 179.223 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.626 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 23.8 m -66.71 102.11 0.89 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.318 0.859 . . . . 1.1100000000000001 113.318 -178.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.522 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.77 ' HG2' ' H52' ' N' ' 35' ' ' FPP . 3.0 Cg_endo -47.79 -48.55 15.66 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.296 1.997 . . . . 1.3700000000000001 111.191 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.819 ' H ' ' H2 ' ' N' ' 35' ' ' FPP . . . -66.37 -23.23 71.69 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 114.292 -1.322 . . . . 1.51 112.487 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.406 ' HB2' ' HG2' ' N' ' 8' ' ' DBB . 5.1 m -65.26 -23.13 66.97 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.881 0.848 . . . . 2.0800000000000001 110.348 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.2 OUTLIER -127.53 24.47 6.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.513 -1.222 . . . . 3.21 109.325 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.725 ' HG2' H102 ' N' ' 35' ' ' FPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -179.35 -143.39 5.39 Favored Glycine 0 N--CA 1.439 -1.106 0 C-N-CA 120.039 -1.077 . . . . 2.8199999999999998 114.532 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.07 28.2 0.09 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.964 0.887 . . . . 3.5800000000000001 110.661 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER -119.97 7.93 10.97 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.329 -1.305 . . . . 3.27 108.35 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER 179.56 -26.65 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.266 -0.879 . . . . 3.75 112.307 -177.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.02 16.42 69.87 Favored Glycine 0 N--CA 1.44 -1.088 0 N-CA-C 107.117 -2.393 . . . . 2.98 107.117 -174.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.478 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 67.5 m 60.54 57.82 2.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 113.431 -1.385 . . . . 2.9700000000000002 109.689 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.428 ' HB2' ' SD ' ' N' ' 17' ' ' MET . 0.4 OUTLIER -62.21 -52.4 63.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 114.539 -1.21 . . . . 4.54 111.575 -178.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 76.7 mtm 61.36 34.11 18.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.645 0.736 . . . . 6.8899999999999997 109.132 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.14 174.64 7.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.857 -1.065 . . . . 5.8600000000000003 112.481 -178.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.45 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.0 83.2 2.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.506 -0.77 . . . . 9.75 109.307 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.608 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.45 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 38.2 m -68.93 -26.11 64.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.441 -0.8 . . . . 11.27 109.703 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -112.93 20.79 16.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.1 -0.954 . . . . 13.9 109.111 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.608 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 3.7 m -79.05 170.89 15.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.353 -1.294 . . . . 14.130000000000001 110.497 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.06 96.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.401 -0.363 . . . . 16.68 110.737 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 35.3 mt -128.32 102.37 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.28 -0.418 . . . . 15.83 110.837 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -136.0 -14.1 1.84 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 19.329999999999998 111.245 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 5.3 p -107.79 12.15 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.524 0.678 . . . . 21.0 110.413 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' N' ' 34' ' ' LYS . 6.5 tptp . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.716 -0.659 . . . . 23.309999999999999 109.714 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.819 ' H2 ' ' H ' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.65 ' O5 ' ' H3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.829 ' H3 ' ' O7 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.81 ' HB3' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.513 -0.444 0 N-CA-C 110.067 -0.346 . . . . 2.2200000000000002 110.067 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.558 ' HA ' ' H83' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.588 ' HB2' ' H82' ' L' ' 1' ' ' NAG . 51.6 mtpt . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 112.877 0.695 . . . . 3.5499999999999998 112.877 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.556 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.7 OUTLIER . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.997 -0.372 . . . . 2.1000000000000001 109.997 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . 0.406 ' HG2' ' O11' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.634 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 14.2 mt -111.65 -33.81 2.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 107.786 -1.19 . . . . 1.54 107.786 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.577 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.7 mp -88.91 72.62 8.46 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.872 -1.058 . . . . 1.6599999999999999 109.128 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 29.0 m -62.64 106.87 0.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.039 -0.982 . . . . 1.1100000000000001 113.003 -178.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.409 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.592 ' O ' ' HG3' ' N' ' 13' ' ' DBB . 3.4 Cg_endo -52.72 -42.72 60.94 Favored 'Trans proline' 0 CA--C 1.513 -0.553 0 C-N-CA 121.491 1.46 . . . . 1.3700000000000001 109.592 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.934 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -67.69 -22.07 73.31 Favored Glycine 0 N--CA 1.436 -1.315 0 CA-C-N 114.329 -1.305 . . . . 1.51 112.054 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 m -63.31 -28.48 70.04 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.414 0.626 . . . . 2.0800000000000001 110.636 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.772 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.9 mmmm -117.99 15.43 14.22 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.962 -1.017 . . . . 3.21 109.629 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.592 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.53 -140.34 2.89 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.852 -0.69 . . . . 2.8199999999999998 112.783 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.24 1.32 9.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.62 0.724 . . . . 3.5800000000000001 110.683 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' N' ' 12' ' ' LYS . 1.3 mt -91.73 -8.41 46.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.097 -0.956 . . . . 3.27 110.412 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' N' ' 12' ' ' LYS . 0.0 OUTLIER -154.64 -49.22 0.09 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.443 0.64 . . . . 3.75 111.697 -178.68 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.0 -16.71 35.89 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 109.311 -1.515 . . . . 2.98 109.311 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.405 ' H ' ' HB3' ' N' ' 17' ' ' MET . 3.7 m 63.45 99.75 0.03 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 114.339 -0.931 . . . . 2.9700000000000002 111.904 178.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.496 ' OD1' ' HE2' ' N' ' 22' ' ' LYS . 41.5 m-80 -72.79 -98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.814 -0.63 . . . . 4.54 110.73 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 64.0 mtm 61.97 18.96 10.35 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.389 0.614 . . . . 6.8899999999999997 110.491 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . 0.496 ' HE2' ' OD1' ' N' ' 20' ' ' ASN . 35.2 pttt -91.02 142.34 27.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.326 -0.852 . . . . 5.8600000000000003 111.026 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.535 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.75 81.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.984 0.421 . . . . 9.75 110.211 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.611 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.535 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 71.0 m -68.83 -21.62 64.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.374 -0.83 . . . . 11.27 110.32 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -117.78 18.28 14.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.582 -0.896 . . . . 13.9 108.582 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.611 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 4.0 m -78.54 106.11 10.28 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.462 -1.244 . . . . 14.130000000000001 111.119 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.92 11.4 2.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.511 0.672 . . . . 16.68 110.943 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . 0.404 ' CG1' ' HB3' ' N' ' 28' ' ' CYS . 1.9 pt -81.86 35.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.589 -0.732 . . . . 15.83 111.645 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.26 -9.79 4.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.11 -0.496 . . . . 19.329999999999998 110.622 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 3.9 m -116.68 19.44 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.285 -0.416 . . . . 21.0 111.105 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.775 0 CA-C-O 118.416 -0.802 . . . . 23.309999999999999 109.954 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.934 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.698 ' O7 ' ' H3 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 1.029 ' H62' ' HG2' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.52 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 CA--C 1.508 -0.657 0 CA-C-O 121.497 0.665 . . . . 2.2200000000000002 110.175 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 1.029 ' HG2' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 121.11 0.481 . . . . 3.5499999999999998 111.166 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.689 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.1 mm . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.633 -0.506 . . . . 2.1000000000000001 109.633 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.607 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 3.7 mp -112.65 -34.92 2.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.056 -1.09 . . . . 1.54 108.056 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 6.3 mt -94.17 69.38 3.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.452 -0.795 . . . . 1.6599999999999999 109.703 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.516 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 22.4 m -64.85 100.62 0.42 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.492 -0.776 . . . . 1.1100000000000001 112.142 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.42 ' O ' ' HG2' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.588 ' HB2' ' H52' ' N' ' 35' ' ' FPP . 1.0 OUTLIER -53.46 -36.33 79.25 Favored 'Trans proline' 0 CA--C 1.51 -0.691 0 C-N-CA 121.712 1.608 . . . . 1.3700000000000001 109.77 178.648 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.874 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -76.96 -18.37 78.84 Favored Glycine 0 N--CA 1.429 -1.768 0 CA-C-N 114.042 -1.436 . . . . 1.51 112.078 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.453 ' HA ' HD11 ' N' ' 1' ' ' ILE . 60.2 m -61.27 -31.62 71.43 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.747 0.784 . . . . 2.0800000000000001 111.227 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.721 ' HB3' ' HG2' ' N' ' 17' ' ' MET . 0.1 OUTLIER -114.5 8.8 16.55 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.752 -1.113 . . . . 3.21 109.402 179.223 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.471 ' HB2' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . 0.592 ' O ' ' HA2' ' N' ' 18' ' ' GLY . . . -118.88 -146.15 7.87 Favored Glycine 0 CA--C 1.496 -1.117 0 C-N-CA 120.079 -1.058 . . . . 2.8199999999999998 115.693 -176.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.95 -29.92 7.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.821 -1.19 . . . . 3.5800000000000001 109.322 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 13.7 mt -61.87 -46.16 90.64 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.801 -1.185 . . . . 3.27 107.801 177.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.721 ' HG2' ' HB3' ' N' ' 12' ' ' LYS . 0.3 OUTLIER -98.39 -16.51 19.26 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 113.965 -1.471 . . . . 3.75 108.704 177.757 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . 0.592 ' HA2' ' O ' ' N' ' 14' ' ' GLY . . . 52.7 32.4 39.8 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 114.387 -1.278 . . . . 2.98 113.316 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.471 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 94.6 m 54.72 44.08 29.11 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.505 0.669 . . . . 2.9700000000000002 110.694 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.498 ' ND2' ' HE2' ' N' ' 22' ' ' LYS . 3.7 m-20 73.71 -88.65 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 114.083 -1.417 . . . . 4.54 111.623 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 65.9 mtp 55.95 23.98 7.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.171 0.51 . . . . 6.8899999999999997 111.059 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . 0.498 ' HE2' ' ND2' ' N' ' 20' ' ' ASN . 28.3 pttt -85.99 155.29 20.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.817 -0.629 . . . . 5.8600000000000003 110.889 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.58 58.22 4.09 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.846 -0.615 . . . . 9.75 110.562 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.42 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 m -67.19 -24.38 65.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.641 0.734 . . . . 11.27 109.888 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -118.31 17.85 13.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.039 -0.982 . . . . 13.9 109.378 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 12.5 m -79.81 129.74 34.73 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.854 -1.066 . . . . 14.130000000000001 111.009 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -70.79 104.87 3.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.177 -0.465 . . . . 16.68 110.36 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 16.6 mt -81.42 125.81 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.714 -0.676 . . . . 15.83 110.307 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -75.62 132.25 40.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.854 -0.612 . . . . 19.329999999999998 111.195 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.62 81.86 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.736 -0.665 . . . . 21.0 109.773 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.811 0 CA-C-N 115.097 -0.956 . . . . 23.309999999999999 109.664 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.874 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.629 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 1.139 ' H62' ' HG3' ' L' ' 4' ' ' FGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 121.526 0.679 . . . . 2.2200000000000002 110.655 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 1.139 ' HG3' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.676 ' HG2' H112 ' N' ' 35' ' ' FPP . 21.6 mtpt . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.669 0.271 . . . . 3.5499999999999998 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.609 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.1 mm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.405 -0.591 . . . . 2.1000000000000001 109.405 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 6.5 mt -95.4 -44.99 13.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.134 -0.691 . . . . 1.54 109.134 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.616 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 2.6 mp -82.94 71.77 10.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.132 -0.94 . . . . 1.6599999999999999 108.929 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 99.58 0.12 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.593 -1.185 . . . . 1.1100000000000001 113.604 -178.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.452 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.616 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 7.8 Cg_endo -54.05 -38.92 87.19 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.591 1.528 . . . . 1.3700000000000001 110.115 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.816 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -68.7 -26.21 74.63 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.896 -1.047 . . . . 1.51 111.154 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 m -62.56 -28.5 69.91 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.029 0.918 . . . . 2.0800000000000001 109.939 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.2 mmmm -123.31 31.54 5.93 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.146 -1.388 . . . . 3.21 108.257 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.705 ' HG3' ' HA2' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -178.23 -145.6 6.07 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 119.832 -1.175 . . . . 2.8199999999999998 115.041 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.16 29.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.896 0.855 . . . . 3.5800000000000001 111.04 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' N' ' 12' ' ' LYS . 0.2 OUTLIER -119.61 10.59 11.8 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.138 -1.392 . . . . 3.27 107.924 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.426 ' HB2' ' CB ' ' N' ' 12' ' ' LYS . 1.0 OUTLIER 178.46 -33.69 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.035 -0.984 . . . . 3.75 112.271 -177.508 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.4 12.6 57.05 Favored Glycine 0 N--CA 1.438 -1.197 0 N-CA-C 105.859 -2.896 . . . . 2.98 105.859 -173.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.522 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 16.8 m 75.05 -65.87 0.32 Allowed 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 112.393 -1.904 . . . . 2.9700000000000002 111.526 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -173.18 -39.26 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.854 -0.424 . . . . 4.54 109.854 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 47.0 mtt 74.54 -43.78 0.54 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.223 -0.899 . . . . 6.8899999999999997 110.357 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . 0.614 ' HD3' ' SG ' ' N' ' 26' ' ' CYS . 0.2 OUTLIER -90.47 173.61 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.638 -0.71 . . . . 5.8600000000000003 109.359 178.522 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.494 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.7 77.84 2.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.303 0.573 . . . . 9.75 110.581 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.591 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.614 ' SG ' ' HD3' ' N' ' 22' ' ' LYS . 5.5 m -73.57 -22.15 60.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.77 0.795 . . . . 11.27 108.907 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -112.88 24.88 11.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.407 -1.27 . . . . 13.9 108.437 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.591 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 8.9 m -91.51 178.79 5.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.246 -1.343 . . . . 14.130000000000001 110.027 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -77.73 70.79 4.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.067 0.46 . . . . 16.68 110.722 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 50.2 mt -77.33 117.93 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.862 -0.608 . . . . 15.83 110.266 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -128.21 121.2 28.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.112 0.482 . . . . 19.329999999999998 111.194 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.83 -10.61 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.525 0.679 . . . . 21.0 109.457 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.111 -0.947 . . . . 23.309999999999999 110.669 179.615 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.816 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.6 ' C3 ' ' O7 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.722 ' H62' ' HG2' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.409 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.449 -0.509 0 CA-C-O 121.293 0.568 . . . . 2.2200000000000002 111.793 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.583 ' O ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.722 ' HG2' ' H62' ' L' ' 2' ' ' MUB . 29.1 mtpt . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 121.282 0.563 . . . . 3.5499999999999998 111.289 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.768 HD13 ' H11' ' N' ' 35' ' ' FPP . 2.3 mt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.248 -0.279 . . . . 2.1000000000000001 110.248 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . 0.483 ' HB3' ' O3A' ' N' ' 35' ' ' FPP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.706 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 3.0 mp -95.77 -29.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 107.74 -1.207 . . . . 1.54 107.74 176.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.59 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 4.4 mp -91.91 74.23 5.64 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.803 -1.089 . . . . 1.6599999999999999 108.874 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.733 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 7.7 m -61.84 103.17 0.32 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.957 . . . . 1.1100000000000001 112.141 -178.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.416 ' HG2' ' O ' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.783 ' HG2' ' H51' ' N' ' 35' ' ' FPP . 2.0 Cg_endo -51.39 -39.26 63.9 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.12 1.88 . . . . 1.3700000000000001 110.236 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.602 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -76.92 -15.67 81.44 Favored Glycine 0 N--CA 1.432 -1.6 0 CA-C-N 114.137 -1.392 . . . . 1.51 112.586 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.408 ' HB2' ' HG2' ' N' ' 8' ' ' DBB . 57.8 m -63.69 -23.06 67.22 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.904 0.859 . . . . 2.0800000000000001 111.519 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.664 ' HE2' ' SD ' ' N' ' 17' ' ' MET . 0.0 OUTLIER -132.26 19.05 4.43 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 114.612 -1.177 . . . . 3.21 109.864 179.601 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.533 ' HB2' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.48 -153.33 6.16 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 119.814 -1.184 . . . . 2.8199999999999998 114.559 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.45 16.4 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.443 0.697 . . . . 3.5800000000000001 111.427 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' N' ' 16' ' ' LEU . 1.6 mt -74.05 -11.45 60.33 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.953 -1.022 . . . . 3.27 109.495 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.664 ' SD ' ' HE2' ' N' ' 12' ' ' LYS . 0.0 OUTLIER -156.02 -44.07 0.08 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.477 0.656 . . . . 3.75 112.339 -178.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . 0.599 ' HA3' ' HG3' ' N' ' 21' ' ' MET . . . 102.83 8.32 42.69 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 107.445 -2.262 . . . . 2.98 107.445 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.533 ' HA ' ' HB2' ' N' ' 13' ' ' DBB . 99.5 m 75.01 -24.27 0.22 Allowed 'General case' 0 C--N 1.341 0.233 0 CA-C-N 113.135 -1.532 . . . . 2.9700000000000002 111.039 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' N' ' 18' ' ' GLY . 1.6 t-20 -172.07 -68.37 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.581 . . . . 4.54 109.924 177.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . 0.599 ' HG3' ' HA3' ' N' ' 18' ' ' GLY . 47.7 mtp 63.39 18.61 11.15 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.083 -0.508 . . . . 6.8899999999999997 111.923 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -79.51 139.48 37.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.048 -0.524 . . . . 5.8600000000000003 110.139 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.34 102.18 3.64 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.698 -0.683 . . . . 9.75 111.795 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.544 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 5.1 m -79.86 -29.01 39.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.802 -1.184 . . . . 11.27 107.802 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -103.05 22.77 13.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.933 -1.485 . . . . 13.9 108.067 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.544 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 1.2 m -67.32 157.42 34.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.457 -1.247 . . . . 14.130000000000001 110.488 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.29 98.6 1.07 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.383 -0.371 . . . . 16.68 110.55 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 39.8 mt -77.58 127.63 38.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.629 -0.508 . . . . 15.83 109.629 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -81.49 139.69 35.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.015 -0.539 . . . . 19.329999999999998 111.059 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 9.2 t -78.16 112.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.728 -0.669 . . . . 21.0 109.809 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp . . . . . 0 C--O 1.246 0.903 0 CA-C-O 117.377 -1.297 . . . . 23.309999999999999 108.608 -179.717 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.783 ' H51' ' HG2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.63 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.814 ' O6 ' ' H1 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 112.546 0.573 . . . . 2.2200000000000002 112.546 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.64 ' HXT' ' N ' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.64 ' N ' ' HXT' ' L' ' 4' ' ' FGA . 4.1 mtpt . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 121.141 0.496 . . . . 3.5499999999999998 112.124 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.772 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 1.5 mp . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.862 -0.421 . . . . 2.1000000000000001 109.862 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . 0.486 ' N ' HG22 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.814 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 2.9 mp -108.39 -22.91 4.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.548 -1.279 . . . . 1.54 107.548 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.6 ' H ' HD12 ' N' ' 6' ' ' LEU . 1.2 mp -90.0 71.6 7.45 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.868 -1.06 . . . . 1.6599999999999999 109.397 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 8.9 m -66.78 103.38 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 1.1100000000000001 112.42 -178.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.443 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.565 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 2.7 Cg_endo -50.97 -43.95 44.77 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.854 1.703 . . . . 1.3700000000000001 109.757 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.859 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -66.25 -26.22 72.52 Favored Glycine 0 N--CA 1.432 -1.632 0 CA-C-N 113.752 -1.567 . . . . 1.51 111.974 178.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 m -59.72 -27.75 66.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.537 0.684 . . . . 2.0800000000000001 110.704 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.9 mmmt -120.79 20.13 11.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.865 -1.061 . . . . 3.21 109.393 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.483 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.84 -143.12 3.63 Favored Glycine 0 N--CA 1.434 -1.467 0 C-N-CA 120.729 -0.748 . . . . 2.8199999999999998 113.159 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.41 -11.27 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.184 0.516 . . . . 3.5800000000000001 110.815 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' N' ' 12' ' ' LYS . 6.0 mt -73.28 -28.64 62.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.868 . . . . 3.27 110.135 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' N' ' 12' ' ' LYS . 0.2 OUTLIER -132.83 -66.27 0.68 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.537 0.684 . . . . 3.75 110.665 -179.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.65 -18.7 4.56 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 109.756 -1.337 . . . . 2.98 109.756 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.443 ' HB3' ' HG1' ' N' ' 13' ' ' DBB . 2.6 m 59.43 40.43 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.419 -0.89 . . . . 2.9700000000000002 112.106 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -83.05 -97.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.572 -0.285 . . . . 4.54 110.619 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 92.2 mtp 63.29 4.64 1.72 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.099 0.56 . . . . 6.8899999999999997 112.339 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -91.48 164.76 13.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.36 -0.382 . . . . 5.8600000000000003 110.764 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . 0.446 ' HG1' ' HB2' ' N' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.82 57.44 2.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.46 0.647 . . . . 9.75 109.867 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.405 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . 0.446 ' HB2' ' HG1' ' N' ' 23' ' ' DBB . 10.2 m -65.15 -29.53 70.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.419 -0.81 . . . . 11.27 110.256 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -120.79 30.97 6.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.134 -0.939 . . . . 13.9 108.563 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.426 ' HB3' HG13 ' N' ' 30' ' ' ILE . 3.8 m -85.93 -177.89 6.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.821 -1.081 . . . . 14.130000000000001 110.727 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 68.2 m -122.57 41.63 3.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.337 0.589 . . . . 16.68 110.692 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . 0.426 HG13 ' HB3' ' N' ' 28' ' ' CYS . 6.3 mt -86.91 49.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.433 0.635 . . . . 15.83 110.012 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -152.99 120.65 6.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 19.329999999999998 110.182 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -119.09 109.79 27.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.402 -0.363 . . . . 21.0 110.296 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . 0.599 ' HE2' ' HA ' ' N' ' 34' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.102 -0.951 . . . . 23.309999999999999 109.259 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.859 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.661 ' HN2' ' HG2' ' L' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.847 ' H4A' ' N ' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.847 ' N ' ' H4A' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 121.363 0.601 . . . . 2.2200000000000002 109.929 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.801 ' HA ' ' H62' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.908 ' HA ' ' HE3' ' L' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 112.395 0.517 . . . . 3.5499999999999998 112.395 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.44 ' HB ' ' O3A' ' N' ' 35' ' ' FPP . 1.1 mm . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.519 -0.548 . . . . 2.1000000000000001 109.519 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.423 HD12 ' HN2' ' L' ' 2' ' ' MUB . 12.1 mt -107.89 -30.85 2.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 107.708 -1.219 . . . . 1.54 107.708 177.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.694 HD11 ' H52' ' N' ' 35' ' ' FPP . 0.1 OUTLIER -86.2 76.58 9.71 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.75 -1.113 . . . . 1.6599999999999999 108.818 178.552 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.525 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 37.0 m -67.18 107.38 2.31 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.367 -0.833 . . . . 1.1100000000000001 113.174 -178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.504 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.588 ' HG2' HD12 ' N' ' 6' ' ' LEU . 6.9 Cg_endo -52.61 -46.56 32.52 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.885 1.723 . . . . 1.3700000000000001 110.235 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.781 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -68.7 -15.58 68.96 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 114.479 -1.237 . . . . 1.51 112.517 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.407 ' HB2' ' HG2' ' N' ' 8' ' ' DBB . 32.0 m -66.94 -27.19 67.27 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.346 0.593 . . . . 2.0800000000000001 110.89 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' N' ' 16' ' ' LEU . 1.2 mmmm -116.66 5.45 13.21 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.095 -0.957 . . . . 3.21 109.948 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -159.85 -143.76 3.76 Favored Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 119.577 -1.296 . . . . 2.8199999999999998 114.553 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.73 28.51 0.13 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.809 0.814 . . . . 3.5800000000000001 110.616 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.5 OUTLIER -123.94 6.36 8.66 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.57 -1.195 . . . . 3.27 108.699 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.473 ' SD ' ' HB2' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -174.22 -28.53 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.303 -0.862 . . . . 3.75 112.089 -178.716 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.28 18.6 79.14 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 107.28 -2.328 . . . . 2.98 107.28 -174.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 46.5 m 64.22 70.08 0.51 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 112.98 -1.61 . . . . 2.9700000000000002 110.349 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.715 ' HB3' ' HG2' ' N' ' 22' ' ' LYS . 24.7 m-80 -128.41 -68.79 0.75 Allowed 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 113.687 -1.597 . . . . 4.54 110.428 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 59.9 mtm 65.8 17.96 11.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.576 -0.738 . . . . 6.8899999999999997 110.78 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . 0.715 ' HG2' ' HB3' ' N' ' 20' ' ' ASN . 15.8 ptmt -91.31 167.92 11.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.265 -0.88 . . . . 5.8600000000000003 110.412 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . 0.415 ' HB2' ' HE2' ' N' ' 22' ' ' LYS . . . -90.32 65.7 6.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.14 0.495 . . . . 9.75 111.941 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.621 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.38 -33.86 69.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.755 0.788 . . . . 11.27 108.876 178.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -100.86 14.46 31.71 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.414 -1.266 . . . . 13.9 109.583 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.621 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 4.9 m -75.26 153.52 37.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.781 -1.099 . . . . 14.130000000000001 110.678 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.84 110.3 3.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.283 -0.417 . . . . 16.68 110.723 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mt -84.73 125.8 40.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.97 0.414 . . . . 15.83 109.9 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -77.23 163.0 26.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 19.329999999999998 111.124 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -84.4 3.61 3.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.506 . . . . 21.0 111.911 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.914 -1.041 . . . . 23.309999999999999 109.065 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.781 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.623 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.623 ' O3 ' ' C1 ' ' L' ' 1' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.684 0 CA-C-O 121.041 0.448 . . . . 2.2200000000000002 111.937 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.745 ' O ' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' L' ' 5' ' ' LYS . 11.4 mtmt . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 120.965 0.412 . . . . 3.5499999999999998 111.044 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.75 HD13 ' H11' ' N' ' 35' ' ' FPP . 1.3 mt . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.054 -0.351 . . . . 2.1000000000000001 110.054 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.6 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 4.2 mp -110.36 -29.69 2.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.927 -1.138 . . . . 1.54 107.927 177.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.5 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 3.4 mp -97.76 70.47 2.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.2 -0.909 . . . . 1.6599999999999999 109.084 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.711 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 7.7 m -62.71 105.46 0.66 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.172 -0.922 . . . . 1.1100000000000001 112.328 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.425 ' O ' ' HG2' ' N' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.76 ' HG2' ' H51' ' N' ' 35' ' ' FPP . 4.2 Cg_exo -50.07 -39.75 50.67 Favored 'Trans proline' 0 CA--C 1.512 -0.592 0 C-N-CA 121.64 1.56 . . . . 1.3700000000000001 110.434 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.537 ' CA ' ' H42' ' N' ' 35' ' ' FPP . . . -76.8 -12.8 84.22 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 114.128 -1.396 . . . . 1.51 112.633 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.477 ' N ' HD11 ' N' ' 1' ' ' ILE . 60.4 m -66.83 -23.35 66.03 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.33 0.586 . . . . 2.0800000000000001 110.744 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' N' ' 16' ' ' LEU . 0.1 OUTLIER -131.82 1.09 3.96 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.985 -1.007 . . . . 3.21 111.115 179.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.424 ' HB2' ' O ' ' N' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -173.72 -139.23 2.86 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.074 -1.06 . . . . 2.8199999999999998 113.178 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.6 37.21 0.22 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.422 1.106 . . . . 3.5800000000000001 110.122 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.0 OUTLIER -135.04 11.74 3.6 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 113.598 -1.637 . . . . 3.27 108.373 -178.559 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 175.46 -34.28 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.335 -0.848 . . . . 3.75 111.708 -178.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.49 18.3 68.97 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 107.039 -2.424 . . . . 2.98 107.039 -174.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m 63.64 56.39 1.57 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 113.158 -1.521 . . . . 2.9700000000000002 109.454 -177.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' N' ' 21' ' ' MET . 0.8 OUTLIER -80.76 -35.92 32.63 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 113.883 -1.508 . . . . 4.54 111.394 -179.459 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' N' ' 20' ' ' ASN . 89.8 mtp 76.41 -28.66 0.18 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.87 0.868 . . . . 6.8899999999999997 112.318 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . 0.413 ' HG2' ' HB3' ' N' ' 20' ' ' ASN . 56.2 pttt -68.86 133.28 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.745 0.307 . . . . 5.8600000000000003 110.36 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.19 94.75 1.19 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.632 -0.713 . . . . 9.75 112.183 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.615 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 37.6 m -76.49 -24.7 53.79 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.746 -0.835 . . . . 11.27 108.746 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -109.1 24.44 13.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.55 -1.204 . . . . 13.9 108.474 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.615 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 1.5 m -79.33 172.24 14.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.46 -1.245 . . . . 14.130000000000001 111.164 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -80.28 50.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.042 -0.526 . . . . 16.68 110.698 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 54.8 mt -68.73 122.42 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 15.83 110.052 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -128.72 153.11 47.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.301 -0.409 . . . . 19.329999999999998 111.271 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 m -97.97 -5.86 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.593 0.711 . . . . 21.0 109.123 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.638 -0.696 . . . . 23.309999999999999 109.308 -179.874 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.76 ' H51' ' HG2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.63 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.84 ' H81' ' HB ' ' N' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.991 0.424 . . . . 2.2200000000000002 111.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.717 ' OXT' ' HA ' ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . 0.452 ' HD3' ' H5 ' ' L' ' 2' ' ' MUB . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 120.979 0.419 . . . . 3.5499999999999998 111.146 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.95 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.25 -0.278 . . . . 2.1000000000000001 110.25 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.84 ' HB ' ' H81' ' L' ' 2' ' ' MUB . 4.8 mp -104.92 -27.38 3.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 107.599 -1.26 . . . . 1.54 107.599 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.68 ' O ' ' HD2' ' N' ' 9' ' ' PRO . 0.2 OUTLIER -86.02 73.85 10.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.862 -0.792 . . . . 1.6599999999999999 108.862 178.519 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.75 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 9.0 m -61.73 112.89 2.45 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.818 0.673 . . . . 1.1100000000000001 112.818 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.43 ' O ' ' HB2' ' N' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.819 ' HB2' ' H51' ' N' ' 35' ' ' FPP . 3.8 Cg_exo -55.71 -42.1 70.91 Favored 'Trans proline' 0 CA--C 1.509 -0.766 0 C-N-CA 121.567 1.512 . . . . 1.3700000000000001 109.937 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.57 -12.56 77.63 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 113.879 -1.509 . . . . 1.51 112.051 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.48 ' N ' HD11 ' N' ' 1' ' ' ILE . 61.3 m -66.88 -29.73 69.71 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.624 0.726 . . . . 2.0800000000000001 110.206 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' N' ' 16' ' ' LEU . 0.5 OUTLIER -109.46 5.94 23.77 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.638 -1.164 . . . . 3.21 109.521 178.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.455 ' HG1' ' HA ' ' N' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -157.76 -145.84 4.34 Favored Glycine 0 N--CA 1.439 -1.154 0 C-N-CA 120.271 -0.966 . . . . 2.8199999999999998 113.677 -178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.18 28.35 0.19 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.546 0.688 . . . . 3.5800000000000001 110.979 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' N' ' 12' ' ' LYS . 4.5 mt -113.78 -28.0 7.59 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.947 -1.024 . . . . 3.27 108.972 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . 0.525 ' SD ' ' HG2' ' N' ' 21' ' ' MET . 38.6 mtt -143.1 -12.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.229 -0.896 . . . . 3.75 111.921 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.63 14.08 64.36 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.744 -1.342 . . . . 2.98 109.744 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . 0.455 ' HA ' ' HG1' ' N' ' 13' ' ' DBB . 84.2 m 61.13 25.92 15.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 114.242 -0.979 . . . . 2.9700000000000002 110.236 -177.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . 0.466 ' HB3' ' HG3' ' N' ' 22' ' ' LYS . 6.4 t-20 -136.89 -13.38 1.66 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.469 -0.787 . . . . 4.54 111.471 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . 0.525 ' HG2' ' SD ' ' N' ' 17' ' ' MET . 63.3 mtt 70.87 -1.49 2.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.244 0.617 . . . . 6.8899999999999997 112.53 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . 0.466 ' HG3' ' HB3' ' N' ' 20' ' ' ASN . 0.0 OUTLIER -90.38 158.95 16.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.764 0.316 . . . . 5.8600000000000003 110.959 -179.65 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 62.62 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.499 . . . . 9.75 110.649 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.521 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 2.3 m -73.45 -26.02 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.708 0.766 . . . . 11.27 109.02 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -111.06 21.27 16.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.803 -1.089 . . . . 13.9 109.107 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.521 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 5.3 m -82.08 134.24 35.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.537 -1.211 . . . . 14.130000000000001 110.555 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.76 68.95 5.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.206 0.527 . . . . 16.68 110.91 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . 0.696 HG23 ' HB1' ' N' ' 33' ' ' DHA . 33.7 mt -81.62 102.77 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.592 -0.731 . . . . 15.83 109.709 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -95.08 -71.87 0.65 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.897 -0.592 . . . . 19.329999999999998 110.701 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.48 -13.45 11.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.196 -0.911 . . . . 21.0 110.636 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . 0.696 ' HB1' HG23 ' N' ' 30' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? . . . . . 0 C--N 1.316 -0.889 0 CA-C-O 117.869 -1.062 . . . . 23.309999999999999 109.147 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.95 ' O1 ' HG21 ' N' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 1' ' ' NAG . . . . . 0.474 ' C1 ' ' O3 ' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 2' ' ' MUB . . . . . 0.99 ' H61' ' HB3' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 3' ' ' ALA . . . . . 0.99 ' HB3' ' H61' ' L' ' 2' ' ' MUB . . . . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 120.308 0.099 . . . . 2.2200000000000002 111.222 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 4' ' ' FGA . . . . . 0.74 ' HG3' ' O ' ' L' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 109.613 -0.514 . . . . 3.5499999999999998 109.613 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 6' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' L' L ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' N' N ' 1' ' ' ILE . . . . . 0.695 HG21 ' O1 ' ' N' ' 35' ' ' FPP . 0.4 OUTLIER . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 110.063 -0.347 . . . . 2.1000000000000001 110.063 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 2' ' ' DBU . . . . . 0.555 ' HG2' ' O11' ' L' ' 2' ' ' MUB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 3' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.733 HD12 ' HN2' ' L' ' 2' ' ' MUB . 22.5 mt -105.96 -37.47 4.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 107.992 -1.114 . . . . 1.54 107.992 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.737 HD12 ' H62' ' N' ' 35' ' ' FPP . 15.0 mt -89.15 74.3 8.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.096 -0.956 . . . . 1.6599999999999999 109.638 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' O1A' ' N' ' 35' ' ' FPP . 45.7 m -66.03 97.78 0.39 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.485 -0.779 . . . . 1.1100000000000001 113.07 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 8' ' ' DBB . . . . . 0.48 ' N ' ' HD2' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.573 ' HD2' ' O ' ' N' ' 6' ' ' LEU . 3.5 Cg_endo -53.01 -45.73 39.02 Favored 'Trans proline' 0 CA--C 1.511 -0.648 0 C-N-CA 121.411 1.407 . . . . 1.3700000000000001 109.99 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 10' ' ' GLY . . . . . 0.919 ' HA3' ' H11' ' N' ' 35' ' ' FPP . . . -66.9 -16.43 66.18 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.77 -1.105 . . . . 1.51 112.244 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 11' ' ' CYS . . . . . 0.444 ' HB2' ' HG2' ' N' ' 8' ' ' DBB . 18.7 m -70.28 -26.19 63.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.145 0.498 . . . . 2.0800000000000001 111.404 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 12' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' N' ' 12' ' ' LYS . 3.4 mmmt -126.75 10.95 7.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.518 -0.765 . . . . 3.21 110.565 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 13' ' ' DBB . . . . . 0.52 ' HG3' ' O ' ' N' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 14' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' N' ' 16' ' ' LEU . . . -170.96 -143.8 4.13 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.23 -0.986 . . . . 2.8199999999999998 113.715 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.86 29.7 0.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.856 0.836 . . . . 3.5800000000000001 110.366 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 16' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' N' ' 14' ' ' GLY . 0.2 OUTLIER -123.53 8.17 8.95 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.377 -1.283 . . . . 3.27 108.196 -179.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' N' N ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.47 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.993 -1.003 . . . . 3.75 111.53 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.03 7.05 51.01 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 108.947 -1.661 . . . . 2.98 108.947 -176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 19' ' ' CYS . . . . . . . . . . . . . 94.3 m 65.31 62.64 0.68 Allowed 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 113.829 -1.186 . . . . 2.9700000000000002 111.274 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.42 -57.45 0.58 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.31 -1.314 . . . . 4.54 113.232 178.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 21' ' ' MET . . . . . . . . . . . . . 44.0 mtt 60.4 46.22 10.13 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.594 0.712 . . . . 6.8899999999999997 110.3 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -88.76 140.8 29.08 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.005 -0.998 . . . . 5.8600000000000003 111.362 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 23' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' N' N ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.68 74.16 8.69 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.673 0.62 . . . . 9.75 112.673 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 25' ' ' DBB . . . . . 0.62 ' O ' ' HB2' ' N' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.61 -37.54 70.91 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.748 -0.834 . . . . 11.27 108.748 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -97.87 18.88 14.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.61 -1.177 . . . . 13.9 109.562 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 28' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' N' ' 25' ' ' DBB . 2.3 m -76.8 137.58 39.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.82 -1.082 . . . . 14.130000000000001 110.336 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -82.17 61.02 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.228 0.537 . . . . 16.68 111.008 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 30' ' ' ILE . . . . . . . . . . . . . 43.2 mt -79.14 123.93 36.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.672 -0.695 . . . . 15.83 109.915 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -106.04 151.03 25.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.087 -0.506 . . . . 19.329999999999998 111.284 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 32' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -107.08 97.38 5.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.891 -0.595 . . . . 21.0 110.182 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 33' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' N' N ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.708 -0.663 . . . . 23.309999999999999 110.261 179.572 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' N' N ' 35' ' ' FPP . . . . . 0.919 ' H11' ' HA3' ' N' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_