data_6viq_residue ############################ # Computer software used # ############################ 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 6viq _Structure_validation_residue.Date_analyzed 2020-07-03 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.6 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.738 0.304 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 52.6 Cg_exo . . . . . 0 C--N 1.306 -1.683 0 C-N-CA 122.853 2.368 . . . . 0.0 112.037 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.67 HD21 ' CE2' ' A' ' 14' ' ' TRP . 3.6 mt . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.941 0.401 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.446 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.1 m -142.26 -128.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.678 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.51 45.7 1.05 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.67 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.05 163.14 20.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.617 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.657 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER 82.05 19.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.791 0.329 . . . . 0.0 110.467 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.42 156.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.525 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.551 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 50.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.492 ' H ' ' HD2' ' A' ' 6' ' ' PRO . 0.7 OUTLIER . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.535 0.207 . . . . 0.0 110.741 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.617 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 51.0 Cg_exo . . . . . 0 C--N 1.307 -1.621 0 C-N-CA 122.476 2.117 . . . . 0.0 111.501 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 14' ' ' TRP . 2.9 mt . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.539 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.92 0 N-CA-C 112.162 -0.375 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.617 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 67.2 m -73.51 -122.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.995 0.398 . . . . 0.0 110.639 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.1 52.58 0.54 Allowed Glycine 0 CA--C 1.509 -0.297 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.64 ' CE2' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.82 162.34 16.37 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.673 -0.763 . . . . 0.0 110.624 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD21 ' N ' ' A' ' 15' ' ' LEU . 1.2 pt? . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.614 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 11.2 mp -122.17 20.48 10.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 70.03 148.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.129 -179.213 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 52.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.494 ' H ' ' HD2' ' A' ' 6' ' ' PRO . 0.7 OUTLIER . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.559 0.218 . . . . 0.0 110.597 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.656 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 54.6 Cg_exo . . . . . 0 C--N 1.309 -1.523 0 C-N-CA 122.508 2.138 . . . . 0.0 111.757 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.647 ' CD2' ' CZ2' ' A' ' 14' ' ' TRP . 2.5 mt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.5 mtp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.771 179.518 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 72.8 m -59.88 -122.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.414 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.47 48.29 0.6 Allowed Glycine 0 CA--C 1.509 -0.289 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.647 ' CZ2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.27 157.07 8.94 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.97 -0.615 . . . . 0.0 110.341 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.814 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.757 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.0 mt -131.57 36.25 3.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 110.121 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.676 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.26 163.14 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.185 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.676 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 62.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 10.2 mt . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.704 0.288 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.686 ' C ' ' SG ' ' A' ' 12' ' ' CYS . 39.8 Cg_exo . . . . . 0 C--N 1.307 -1.606 0 C-N-CA 122.607 2.205 . . . . 0.0 111.651 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.658 ' CD2' ' CZ2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.646 ' C ' ' SD ' ' A' ' 9' ' ' MET . 1.9 ppp? . . . . . 0 N--CA 1.455 -0.215 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.716 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.652 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.737 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.686 ' SG ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -158.57 -25.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 110.549 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.14 46.79 0.91 Allowed Glycine 0 CA--C 1.513 -0.066 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.658 ' CZ2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.85 166.94 20.01 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 110.186 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.576 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.3 tp 75.45 23.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.201 0.524 . . . . 0.0 109.881 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.679 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.96 163.48 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.795 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.679 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 43.6 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.632 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.8 mp . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.459 0.171 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 51.0 Cg_exo . . . . . 0 C--N 1.308 -1.585 0 C-N-CA 122.253 1.969 . . . . 0.0 111.694 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.623 ' CD2' ' NE1' ' A' ' 14' ' ' TRP . 6.2 mt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.228 0.537 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.1 m -147.71 -128.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.796 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.57 50.04 0.79 Allowed Glycine 0 CA--C 1.51 -0.242 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.623 ' NE1' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.29 165.48 22.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.122 179.415 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.529 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 36.4 tp 72.75 22.41 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 109.919 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.702 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.65 166.13 0.27 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.702 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 53.2 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.598 0.237 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 77.6 Cg_exo . . . . . 0 C--N 1.308 -1.564 0 C-N-CA 122.386 2.057 . . . . 0.0 112.329 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.637 ' CD2' ' NE1' ' A' ' 14' ' ' TRP . 5.3 mt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.682 0.277 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.445 ' HE2' ' HA ' ' A' ' 5' ' ' ILE . 5.6 mtm . . . . . 0 N--CA 1.463 0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.596 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.596 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 84.4 m -156.85 -120.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.645 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.45 49.29 0.72 Allowed Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.34 159.67 26.27 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.038 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.686 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.666 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.4 mt -132.22 36.91 3.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.84 0.352 . . . . 0.0 110.332 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.91 163.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.337 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.678 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 54.2 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.576 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.62 0.248 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 51.9 Cg_exo . . . . . 0 C--N 1.306 -1.659 0 C-N-CA 122.272 1.981 . . . . 0.0 111.499 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.638 HD21 ' CE2' ' A' ' 14' ' ' TRP . 1.1 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.325 0.583 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.496 ' HE3' ' HA ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.966 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.612 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 56.2 m -157.48 -120.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.59 52.99 0.54 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.638 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 161.35 25.26 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.961 -0.619 . . . . 0.0 110.313 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.87 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.481 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 34.6 tp -145.47 -7.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.705 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 151.46 166.27 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.705 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 45.9 t . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 51.0 mt . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.547 0.213 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.3 Cg_exo . . . . . 0 C--N 1.307 -1.644 0 C-N-CA 122.436 2.091 . . . . 0.0 111.591 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.609 HD21 ' CE2' ' A' ' 14' ' ' TRP . 3.0 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.639 ' C ' ' SD ' ' A' ' 9' ' ' MET . 1.9 ppp? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.806 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.586 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 56.4 m -154.91 -125.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 110.387 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.55 44.61 1.03 Allowed Glycine 0 C--N 1.328 0.131 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.609 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.08 165.43 15.83 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.367 0.603 . . . . 0.0 110.527 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.573 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.314 -0.962 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.875 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.56 -9.62 43.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.125 0.488 . . . . 0.0 109.909 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.748 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 168.57 -83.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.223 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.748 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 2.5 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.1 pt . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo . . . . . 0 N--CA 1.496 1.628 0 C-N-CA 122.522 2.148 . . . . 0.0 111.707 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.62 ' CD2' ' NE1' ' A' ' 14' ' ' TRP . 6.3 mt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.325 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.0 m -146.74 -127.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 110.997 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.43 50.2 0.74 Allowed Glycine 0 C--N 1.329 0.179 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.62 ' NE1' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.71 164.06 20.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.985 -0.607 . . . . 0.0 110.205 179.288 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 92.3 mt -116.84 26.86 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 110.399 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 76.35 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.265 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 19' ' ' CYS . 73.6 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.49 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.575 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.306 0 CA-C-O 120.458 0.17 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 29.9 Cg_endo . . . . . 0 C--N 1.309 -1.521 0 C-N-CA 122.472 2.114 . . . . 0.0 111.8 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.629 HD23 ' CE2' ' A' ' 14' ' ' TRP . 1.5 mt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.287 0.565 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.101 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.613 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.613 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 36.8 m -156.65 -129.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 45.79 1.04 Allowed Glycine 0 C--N 1.329 0.184 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.629 ' CE2' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 165.68 15.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.2 0.524 . . . . 0.0 110.298 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.824 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 62.0 mt 73.33 38.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 0.0 110.162 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.704 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER 66.73 165.79 0.21 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.632 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.704 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 96.4 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.557 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.758 0.313 . . . . 0.0 110.691 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 10.8 Cg_endo . . . . . 0 C--N 1.306 -1.699 0 C-N-CA 123.044 2.496 . . . . 0.0 112.132 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.651 HD23 ' CE2' ' A' ' 14' ' ' TRP . 1.6 mt . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.2 mtp . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.15 -179.124 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.508 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.775 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 63.3 m -154.66 -126.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.536 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.75 47.11 0.91 Allowed Glycine 0 C--N 1.332 0.351 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.651 ' CE2' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.3 164.33 20.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.115 -0.543 . . . . 0.0 110.084 179.318 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.543 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 35.0 tp 69.41 32.65 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 109.839 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER 67.48 140.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.504 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.788 -179.7 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.533 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.793 0.33 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.556 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 49.6 Cg_exo . . . . . 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.667 HD23 ' CE2' ' A' ' 14' ' ' TRP . 3.4 mt . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.983 0.421 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.4 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.258 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 60.9 m -148.81 -130.06 0.05 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.371 . . . . 0.0 110.702 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.1 47.12 0.99 Allowed Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.667 ' CE2' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.74 163.17 26.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 110.688 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.79 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.538 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 90.4 mt 72.63 22.18 3.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.777 0.323 . . . . 0.0 110.408 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 66.91 161.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.645 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 36.8 mm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.507 0.194 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 51.1 Cg_exo . . . . . 0 C--N 1.307 -1.655 0 C-N-CA 122.344 2.029 . . . . 0.0 111.62 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.644 HD23 ' CE2' ' A' ' 14' ' ' TRP . 2.9 mt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.839 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m -111.32 -123.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.23 51.83 0.6 Allowed Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.644 ' CE2' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.95 157.31 28.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.684 -0.758 . . . . 0.0 110.511 179.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD21 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.733 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.3 mt -117.71 -16.71 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 161.11 -54.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.598 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.2 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.743 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.665 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.4 mp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.865 0.365 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 77.8 Cg_exo . . . . . 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.354 . . . . 0.0 112.139 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 14' ' ' TRP . 2.6 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.834 0.35 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.2 mtp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 82.1 m -153.4 -126.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.634 0.73 . . . . 0.0 109.921 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.16 45.6 1.02 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.655 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.15 170.08 4.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.729 0.3 . . . . 0.0 110.621 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.486 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.522 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.3 mt -121.53 34.68 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.583 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 72.1 -60.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 -179.431 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.674 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.018 0.437 . . . . 0.0 110.06 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 48.8 Cg_exo . . . . . 0 C--N 1.304 -1.77 0 C-N-CA 122.794 2.33 . . . . 0.0 111.97 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.659 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.214 0.53 . . . . 0.0 109.635 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.843 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 9.0 p -66.62 -119.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.073 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -154.71 44.68 0.56 Allowed Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.647 ' CZ2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -56.91 153.99 10.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.701 -0.75 . . . . 0.0 110.182 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.634 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 1.5 pt? . . . . . 0 C--N 1.315 -0.93 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.232 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 mp 74.3 20.77 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.407 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.69 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 68.63 163.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.69 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 52.0 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.499 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.646 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.8 Cg_exo . . . . . 0 C--N 1.305 -1.718 0 C-N-CA 122.67 2.247 . . . . 0.0 111.969 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.641 HD21 ' CE2' ' A' ' 14' ' ' TRP . 1.7 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.1 ptm . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.119 178.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.637 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 4.6 m -160.81 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.999 0.428 . . . . 0.0 110.734 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.27 50.06 0.11 Allowed Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.641 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.17 164.95 14.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.1 pt? . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.414 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 9.8 tt -127.8 -20.71 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 0.0 110.604 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.649 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 158.54 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.461 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.649 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 18.2 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.636 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.561 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.791 0.329 . . . . 0.0 110.475 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 5' ' ' ILE . 48.6 Cg_exo . . . . . 0 C--N 1.306 -1.683 0 C-N-CA 122.908 2.405 . . . . 0.0 112.485 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.708 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.051 0.453 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.561 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.705 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.436 ' H ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 30.8 p -138.09 -14.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.605 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.38 36.3 12.74 Favored Glycine 0 CA--C 1.511 -0.214 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.666 ' CH2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.54 161.97 6.96 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.435 0.636 . . . . 0.0 110.389 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.633 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.1 pt? . . . . . 0 C--N 1.315 -0.906 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.07 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.586 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 8.2 tt 78.81 -1.19 2.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.242 -179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.63 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.07 -56.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.63 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.587 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.762 0.315 . . . . 0.0 110.355 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.546 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 43.4 Cg_exo . . . . . 0 C--N 1.303 -1.851 0 C-N-CA 122.937 2.424 . . . . 0.0 111.764 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 14' ' ' TRP . 2.1 mt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.389 0.614 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.587 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.646 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' H ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 59.4 m -151.61 -124.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 50.67 0.68 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.662 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.01 162.68 26.33 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.31 179.53 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.521 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.537 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -135.25 -12.34 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.425 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.621 ' O ' ' CB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 158.26 -13.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.39 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.621 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 O-C-N 123.628 0.58 . . . . 0.0 110.613 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.527 ' N ' ' HB2' ' A' ' 8' ' ' LEU . 3.0 mt . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.764 0.316 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.642 ' O ' ' CE2' ' A' ' 14' ' ' TRP . 33.3 Cg_endo . . . . . 0 C--N 1.307 -1.626 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.704 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 1.3 mm? . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.997 0.427 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.443 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.8 p -162.13 -20.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.536 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.55 37.17 7.08 Favored Glycine 0 CA--C 1.509 -0.307 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.645 ' CH2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.58 160.36 16.84 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.615 -0.793 . . . . 0.0 110.48 179.352 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.618 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.078 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.8 tp -120.85 15.46 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 0.0 109.88 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 76.69 -39.92 0.36 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.305 -179.654 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' A' ' 18' ' ' LEU . 4.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.474 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.54 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.777 0.322 . . . . 0.0 110.447 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 5' ' ' ILE . 46.6 Cg_exo . . . . . 0 C--N 1.307 -1.642 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.616 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.54 ' CE ' ' HA ' ' A' ' 5' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -103.0 -85.24 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.722 0.773 . . . . 0.0 110.446 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.24 43.5 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.616 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.49 165.14 10.37 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.554 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.317 -0.815 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.914 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.523 0.541 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 49.3 tp 66.66 -1.26 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 109.955 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.68 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.62 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.427 179.573 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.68 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.41 -10.93 81.27 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.525 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . 133.74 -68.52 0.54 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.626 ' C ' ' HG2' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.6 mt -49.74 -42.78 70.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.86 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 52.6 Cg_exo -48.58 -27.63 10.9 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.853 2.368 . . . . 0.0 112.037 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.548 ' O ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.67 HD21 ' CE2' ' A' ' 14' ' ' TRP . 3.6 mt -72.38 -41.44 66.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.941 0.401 . . . . 0.0 110.447 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.626 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 1.0 OUTLIER -66.86 -43.95 82.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.446 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.581 ' O ' ' NH2' ' A' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.12 37.93 2.79 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.1 m -142.26 -128.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.678 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.51 45.7 1.05 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.67 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.05 163.14 20.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.617 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 16' ' ' DBU . 0.4 OUTLIER -62.59 6.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.657 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.577 ' H ' ' C ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -54.39 88.15 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER 82.05 19.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.791 0.329 . . . . 0.0 110.467 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.42 156.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.525 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.551 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 50.0 t -124.0 132.39 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 10' ' ' DBB . 41.3 ttm180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.588 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.98 -0.4 66.85 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -149.91 109.11 0.42 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.531 ' O ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 4' ' ' DBU . 0.7 OUTLIER -166.9 -51.98 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.741 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.617 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 51.0 Cg_exo -52.47 -36.58 70.55 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.476 2.117 . . . . 0.0 111.501 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 14' ' ' TRP . 2.9 mt -96.46 -31.58 12.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.526 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -67.76 -41.95 82.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.539 178.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.4 -26.23 13.79 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.162 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.617 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 67.2 m -73.51 -122.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.995 0.398 . . . . 0.0 110.639 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.1 52.58 0.54 Allowed Glycine 0 CA--C 1.509 -0.297 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.64 ' CE2' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.82 162.34 16.37 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.673 -0.763 . . . . 0.0 110.624 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD21 ' N ' ' A' ' 16' ' ' DBU . 1.2 pt? -48.75 -8.81 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.614 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.573 ' H ' ' C ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.17 -43.07 99.63 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 11.2 mp -122.17 20.48 10.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 70.03 148.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.129 -179.213 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 52.1 t -123.49 132.11 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 9' ' ' MET . 6.1 mmt180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.568 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.07 22.21 71.87 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . -62.09 -38.36 96.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.592 ' C ' ' O ' ' A' ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 4' ' ' DBU . 0.7 OUTLIER -160.21 -55.44 0.01 OUTLIER Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.597 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.656 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 54.6 Cg_exo -50.57 -35.5 46.6 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.508 2.138 . . . . 0.0 111.757 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.479 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.647 ' CD2' ' CZ2' ' A' ' 14' ' ' TRP . 2.5 mt -102.51 -21.13 14.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.901 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.5 mtp -64.13 -42.28 96.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.771 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.495 ' HG1' ' O ' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 174.98 -30.51 0.09 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 72.8 m -59.88 -122.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.414 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.47 48.29 0.6 Allowed Glycine 0 CA--C 1.509 -0.289 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.647 ' CZ2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.27 157.07 8.94 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.97 -0.615 . . . . 0.0 110.341 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.614 ' CD2' ' N ' ' A' ' 16' ' ' DBU . 0.0 OUTLIER -45.16 -9.62 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.039 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.614 ' N ' ' CD2' ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.1 -40.0 97.7 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.0 mt -131.57 36.25 3.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 110.121 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.676 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.26 163.14 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.185 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.676 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 62.2 t -123.61 131.91 72.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.649 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.507 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -149.3 -144.84 4.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.435 ' HA2' HD11 ' A' ' 8' ' ' LEU . . . -126.3 120.2 3.65 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.513 ' O ' ' HB3' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 10.2 mt -65.66 -43.65 61.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.507 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.679 ' C ' ' SG ' ' A' ' 12' ' ' CYS . 39.8 Cg_exo -51.88 -147.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.607 2.205 . . . . 0.0 111.651 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.658 ' CD2' ' CZ2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -96.26 -30.79 13.26 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.526 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.646 ' C ' ' SD ' ' A' ' 9' ' ' MET . 1.9 ppp? -75.71 -40.46 55.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.716 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.543 ' N ' ' HG3' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.652 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . 148.2 66.91 0.01 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.679 ' SG ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -158.57 -25.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 110.549 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.14 46.79 0.91 Allowed Glycine 0 CA--C 1.513 -0.066 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.658 ' CZ2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.85 166.94 20.01 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 110.186 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD21 ' N ' ' A' ' 16' ' ' DBU . 0.4 OUTLIER -66.8 8.12 0.3 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.576 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.553 ' N ' HD21 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -55.16 94.74 0.02 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.3 tp 75.45 23.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.201 0.524 . . . . 0.0 109.881 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.679 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.96 163.48 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.795 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.679 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 43.6 t -129.77 133.15 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.632 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.667 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.9 1.62 90.63 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 5' ' ' ILE . . . 69.95 25.08 76.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.634 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.8 mp -53.32 -38.88 66.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.044 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.634 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 51.0 Cg_exo -50.95 -30.85 32.06 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.253 1.969 . . . . 0.0 111.694 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.528 ' O ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.623 ' CD2' ' NE1' ' A' ' 14' ' ' TRP . 6.2 mt -71.0 -41.01 71.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.228 0.537 . . . . 0.0 110.04 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.628 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.3 OUTLIER -70.51 -51.06 31.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.528 ' HG2' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.17 40.86 2.53 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.1 m -147.71 -128.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.796 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.57 50.04 0.79 Allowed Glycine 0 CA--C 1.51 -0.242 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.623 ' NE1' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.29 165.48 22.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.122 179.415 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.5 OUTLIER -65.43 6.71 0.27 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.404 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.544 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -53.89 93.28 0.01 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 36.4 tp 72.75 22.41 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 109.919 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.702 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.65 166.13 0.27 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.702 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.2 t -116.84 131.21 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.538 ' NH2' ' HB2' ' A' ' 9' ' ' MET . 56.1 ttm-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.551 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.15 172.35 44.38 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.68 -126.27 40.56 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.638 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 53.2 mt -50.87 -42.02 76.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.078 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.638 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 77.6 Cg_exo -44.46 -22.19 0.55 Allowed 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.386 2.057 . . . . 0.0 112.329 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.531 ' O ' ' HG1' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.637 ' CD2' ' NE1' ' A' ' 14' ' ' TRP . 5.3 mt -67.68 -37.93 83.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.538 ' HG2' ' HB ' ' A' ' 4' ' ' DBU . 5.6 mtm -60.04 -45.0 94.27 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.531 ' HG1' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.596 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 159.09 58.39 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.596 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 84.4 m -156.85 -120.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.645 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.45 49.29 0.72 Allowed Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.34 159.67 26.27 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.038 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.557 HD21 ' N ' ' A' ' 16' ' ' DBU . 0.8 OUTLIER -49.49 -6.89 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.666 179.794 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.595 ' H ' ' C ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.28 99.35 Favored Glycine 0 CA--C 1.523 0.591 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.678 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.4 mt -132.22 36.91 3.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.84 0.352 . . . . 0.0 110.332 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.91 163.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.337 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.678 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 54.2 t -122.48 131.71 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.626 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.531 ' HA2' ' CD1' ' A' ' 8' ' ' LEU . . . -170.5 172.42 44.09 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.51 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . 139.98 -29.73 2.42 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.68 ' HB ' ' CB ' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.576 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt -44.81 -43.57 18.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.644 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 51.9 Cg_exo -50.91 -33.97 43.85 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.272 1.981 . . . . 0.0 111.499 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.638 HD21 ' CE2' ' A' ' 14' ' ' TRP . 1.1 mt -68.52 -37.22 79.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.325 0.583 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.68 ' CB ' ' HB ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER -59.25 -44.58 92.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.966 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.553 ' HG2' ' O ' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.612 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 167.26 59.04 0.03 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 56.2 m -157.48 -120.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.59 52.99 0.54 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.638 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 161.35 25.26 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.961 -0.619 . . . . 0.0 110.313 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 16' ' ' DBU . 1.3 pt? -42.86 -13.53 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.614 ' CG ' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.11 99.82 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 34.6 tp -145.47 -7.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.705 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 151.46 166.27 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.705 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 45.9 t -117.64 132.34 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 111.103 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.56 179.629 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.08 -168.62 38.45 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 5' ' ' ILE . . . -62.89 -38.73 97.03 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.497 ' O ' ' HB3' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 51.0 mt -79.05 -40.17 1.52 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.135 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.3 Cg_exo -51.19 -38.24 60.61 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.436 2.091 . . . . 0.0 111.591 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.446 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.609 HD21 ' CE2' ' A' ' 14' ' ' TRP . 3.0 mt -104.36 -31.47 9.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.639 ' C ' ' SD ' ' A' ' 9' ' ' MET . 1.9 ppp? -66.88 -40.28 87.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.806 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.546 ' N ' ' HG3' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 164.34 59.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.586 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 56.4 m -154.91 -125.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 110.387 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.55 44.61 1.03 Allowed Glycine 0 C--N 1.328 0.131 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.609 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.08 165.43 15.83 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.367 0.603 . . . . 0.0 110.527 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 16' ' ' DBU . 0.0 OUTLIER -50.14 -7.19 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.875 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.593 ' N ' ' CD2' ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.7 -79.61 0.31 Allowed Glycine 0 CA--C 1.523 0.587 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.475 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.56 -9.62 43.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.125 0.488 . . . . 0.0 109.909 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.748 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 168.57 -83.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.223 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.748 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 2.5 t -173.57 111.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.427 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.435 ' C ' HD11 ' A' ' 8' ' ' LEU . . . -63.92 -37.56 94.81 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.01 -54.61 0.76 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.638 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.1 pt -57.64 -31.33 9.86 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.915 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo -60.15 -20.19 60.37 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.522 2.148 . . . . 0.0 111.707 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.62 ' CD2' ' NE1' ' A' ' 14' ' ' TRP . 6.3 mt -74.41 -43.59 55.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.052 0.453 . . . . 0.0 110.066 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.628 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.0 OUTLIER -65.84 -44.4 85.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.325 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.492 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 39.82 2.17 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.0 m -146.74 -127.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 110.997 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.43 50.2 0.74 Allowed Glycine 0 C--N 1.329 0.179 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.62 ' NE1' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.71 164.06 20.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.985 -0.607 . . . . 0.0 110.205 179.288 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 16' ' ' DBU . 1.0 OUTLIER -56.67 -1.61 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.558 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.55 99.15 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 92.3 mt -116.84 26.86 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 110.399 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 76.35 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.265 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 19' ' ' CYS . 73.6 t 69.48 105.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.49 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.652 -179.83 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.87 156.19 52.39 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.491 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -64.17 -36.39 93.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.682 ' C ' ' CG2' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.682 ' CG2' ' C ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER 175.59 -52.06 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.719 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 29.9 Cg_endo -66.08 -14.21 43.37 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.472 2.114 . . . . 0.0 111.8 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.596 ' O ' ' CG ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.629 HD23 ' CE2' ' A' ' 14' ' ' TRP . 1.5 mt -69.95 -39.35 76.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.287 0.565 . . . . 0.0 109.858 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.595 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -60.89 -45.34 94.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.101 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.596 ' CG ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.613 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 166.81 58.2 0.03 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.613 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 36.8 m -156.65 -129.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 45.79 1.04 Allowed Glycine 0 C--N 1.329 0.184 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.629 ' CE2' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 165.68 15.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.2 0.524 . . . . 0.0 110.298 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 16' ' ' DBU . 0.3 OUTLIER -62.97 6.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.824 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.589 ' O ' ' N ' ' A' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -46.16 88.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 16' ' ' DBU . 62.0 mt 73.33 38.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 0.0 110.162 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.704 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER 66.73 165.79 0.21 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.632 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.704 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 96.4 t -109.24 95.05 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.595 ' NH1' ' O ' ' A' ' 9' ' ' MET . 37.2 ttm180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.632 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.41 19.57 78.02 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' HA3' HD11 ' A' ' 8' ' ' LEU . . . -163.66 -95.96 0.11 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.676 ' C ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.676 ' CG1' ' C ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER -165.18 -59.81 0.01 OUTLIER Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.691 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 10.8 Cg_endo -53.12 -11.27 1.51 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.044 2.496 . . . . 0.0 112.132 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.563 ' O ' ' CG ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.651 HD23 ' CE2' ' A' ' 14' ' ' TRP . 1.6 mt -67.0 -35.49 80.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.479 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.539 ' HG2' ' HB ' ' A' ' 4' ' ' DBU . 60.2 mtp -61.78 -42.07 98.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.15 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.563 ' CG ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.508 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 171.47 57.88 0.04 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 63.3 m -154.66 -126.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.536 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.75 47.11 0.91 Allowed Glycine 0 C--N 1.332 0.351 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.651 ' CE2' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.3 164.33 20.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.115 -0.543 . . . . 0.0 110.084 179.318 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 16' ' ' DBU . 0.3 OUTLIER -62.9 7.17 0.08 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.594 ' CG ' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -51.02 98.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 35.0 tp 69.41 32.65 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 109.839 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER 67.48 140.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.504 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.594 ' CG2' ' CG ' ' A' ' 16' ' ' DBU . 75.4 t -63.33 -45.13 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.788 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.509 ' OXT' ' HA ' ' A' ' 10' ' ' DBB . 59.7 ttt85 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.526 ' C ' HD11 ' A' ' 8' ' ' LEU . . . -160.03 105.54 0.27 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.432 ' N ' HD11 ' A' ' 8' ' ' LEU . . . -152.26 19.11 0.82 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.625 ' C ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.625 ' CG1' ' C ' ' A' ' 4' ' ' DBU . 0.0 OUTLIER -163.51 -54.55 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.538 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.556 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 49.6 Cg_exo -54.33 -30.03 60.72 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.548 ' O ' ' HG1' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.667 HD23 ' CE2' ' A' ' 14' ' ' TRP . 3.4 mt -71.16 -41.94 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.983 0.421 . . . . 0.0 110.197 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.62 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.3 OUTLIER -66.78 -40.87 88.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.258 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.548 ' HG1' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.58 44.05 1.38 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 60.9 m -148.81 -130.06 0.05 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.371 . . . . 0.0 110.702 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.1 47.12 0.99 Allowed Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.667 ' CE2' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.74 163.17 26.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 110.688 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 16' ' ' DBU . 0.5 OUTLIER -62.35 8.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.79 179.421 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.594 ' H ' ' C ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.538 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -51.6 94.37 0.01 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 90.4 mt 72.63 22.18 3.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.777 0.323 . . . . 0.0 110.408 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 66.91 161.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.645 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t -124.82 131.78 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.627 179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.27 22.96 0.15 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.515 ' O ' ' HG1' ' A' ' 4' ' ' DBU . . . 178.47 -135.58 2.68 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.638 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 36.8 mm -49.25 -40.39 46.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.638 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 51.1 Cg_exo -51.47 -32.48 43.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.344 2.029 . . . . 0.0 111.62 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.644 HD23 ' CE2' ' A' ' 14' ' ' TRP . 2.9 mt -73.35 -41.07 63.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.618 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.2 OUTLIER -63.12 -48.04 80.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.55 ' CG ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.35 6.02 25.9 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m -111.32 -123.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.23 51.83 0.6 Allowed Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.644 ' CE2' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.95 157.31 28.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.684 -0.758 . . . . 0.0 110.511 179.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.603 ' CD2' ' N ' ' A' ' 16' ' ' DBU . 0.0 OUTLIER -46.2 -9.15 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.733 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.605 ' H ' ' C ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.26 -50.61 61.39 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.3 mt -117.71 -16.71 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 161.11 -54.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.598 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.2 t 56.76 131.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.743 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.507 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.48 ' H3 ' ' CD1' ' A' ' 8' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.17 -34.01 8.44 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.38 -108.18 0.13 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.653 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.665 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.4 mp -53.75 -41.78 89.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.573 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 77.8 Cg_exo -44.3 -17.24 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.354 . . . . 0.0 112.139 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.518 ' O ' ' HG1' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 14' ' ' TRP . 2.6 mt -68.05 -36.31 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.597 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.576 ' HG3' ' O ' ' A' ' 4' ' ' DBU . 3.2 mtp -60.11 -42.12 94.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.518 ' HG1' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 163.71 57.02 0.02 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 82.1 m -153.4 -126.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.634 0.73 . . . . 0.0 109.921 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.16 45.6 1.02 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.655 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.15 170.08 4.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.729 0.3 . . . . 0.0 110.621 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.6 OUTLIER -61.59 4.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.522 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.588 ' H ' ' C ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.94 -41.52 94.33 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.3 mt -121.53 34.68 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.583 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 72.1 -60.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 -179.431 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.674 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.8 t 80.14 119.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.559 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.65 -171.62 41.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.444 ' H ' ' CD1' ' A' ' 8' ' ' LEU . . . -62.84 -38.93 97.34 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.591 ' HB ' ' HE2' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.57 ' CB ' ' O ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER 156.15 -49.73 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.06 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 48.8 Cg_exo -53.53 -37.42 82.67 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.794 2.33 . . . . 0.0 111.97 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.659 ' C ' ' CD2' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.659 ' CD2' ' C ' ' A' ' 7' ' ' DAL . 0.4 OUTLIER -112.12 -35.0 5.78 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.932 -179.733 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.591 ' HE2' ' HB ' ' A' ' 4' ' ' DBU . 0.3 OUTLIER -66.02 -41.32 91.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.214 0.53 . . . . 0.0 109.635 178.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.93 -30.09 6.78 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 9.0 p -66.62 -119.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.073 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -154.71 44.68 0.56 Allowed Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.657 ' CD2' ' O ' ' A' ' 7' ' ' DAL . 0.0 OUTLIER -56.91 153.99 10.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.701 -0.75 . . . . 0.0 110.182 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.634 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.5 pt? -45.21 -11.08 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.232 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -54.19 91.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 mp 74.3 20.77 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.407 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.69 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 68.63 163.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.69 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 52.0 t -121.21 131.06 73.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.593 -179.835 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.0 -4.8 68.24 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 5' ' ' ILE . . . -149.61 111.55 0.52 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.595 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.646 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.3 mt -52.84 -41.89 87.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.799 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.8 Cg_exo -50.42 -38.02 52.42 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.67 2.247 . . . . 0.0 111.969 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.444 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.641 HD21 ' CE2' ' A' ' 14' ' ' TRP . 1.7 mt -101.33 -27.01 13.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.46 ' CG ' ' N ' ' A' ' 10' ' ' DBB . 20.1 ptm -78.43 -38.31 41.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.119 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.46 ' N ' ' CG ' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.637 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 154.07 64.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 4.6 m -160.81 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.999 0.428 . . . . 0.0 110.734 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.27 50.06 0.11 Allowed Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.641 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.17 164.95 14.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.558 HD21 ' N ' ' A' ' 16' ' ' DBU . 1.1 pt? -45.18 -12.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.414 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.578 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.86 -43.64 97.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 9.8 tt -127.8 -20.71 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 0.0 110.604 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.649 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 158.54 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.461 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.649 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 18.2 t 70.77 -112.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.636 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' CE3' ' A' ' 14' ' ' TRP . 95.3 mtt180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.406 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.466 ' HA3' ' HD3' ' A' ' 6' ' ' PRO . . . -63.1 -41.2 99.82 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 4' ' ' DBU . . . 64.1 34.58 90.3 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.539 ' O ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.561 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.3 OUTLIER -170.99 -54.19 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.475 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 5' ' ' ILE . 48.6 Cg_exo -52.44 -40.12 72.25 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.908 2.405 . . . . 0.0 112.485 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.631 ' O ' ' CE3' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.708 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 1.1 mm? -95.16 -51.54 4.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.167 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.561 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -63.62 -41.68 98.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.705 179.36 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.549 ' CG ' ' HB2' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' H ' ' HB2' ' A' ' 19' ' ' CYS . . . 97.81 38.53 4.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 30.8 p -138.09 -14.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.605 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.38 36.3 12.74 Favored Glycine 0 CA--C 1.511 -0.214 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.666 ' CH2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.54 161.97 6.96 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.435 0.636 . . . . 0.0 110.389 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.633 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.1 pt? -50.29 -9.06 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.07 179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.551 ' H ' ' C ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -66.75 85.25 0.11 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.586 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 8.2 tt 78.81 -1.19 2.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.242 -179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.63 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.07 -56.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.63 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.2 p 177.89 -16.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.592 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.479 ' HA3' ' HD3' ' A' ' 6' ' ' PRO . . . -65.03 -42.47 96.7 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 4' ' ' DBU . . . 68.6 33.84 77.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.607 ' C ' ' HG2' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.587 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -167.89 -53.53 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.546 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 43.4 Cg_exo -55.33 -27.4 57.53 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.937 2.424 . . . . 0.0 111.764 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.547 ' O ' ' CG ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 14' ' ' TRP . 2.1 mt -69.81 -42.11 74.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 109.647 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.607 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER -64.63 -43.94 92.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.646 179.415 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.547 ' CG ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' H ' ' HB2' ' A' ' 19' ' ' CYS . . . 106.27 47.53 1.06 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 59.4 m -151.61 -124.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 50.67 0.68 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.662 ' CE2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.01 162.68 26.33 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.31 179.53 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 16' ' ' DBU . 0.9 OUTLIER -46.9 -10.65 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.537 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.571 ' H ' ' C ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.9 -42.84 98.22 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -135.25 -12.34 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.425 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.621 ' O ' ' CB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 158.26 -13.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.39 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.621 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER 95.68 -32.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 123.628 0.58 . . . . 0.0 110.613 -179.6 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 20' ' ' VAL . 72.0 ttt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.62 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.547 ' O ' ' CG ' ' A' ' 4' ' ' DBU . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.78 -38.24 95.87 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.662 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . -63.63 -40.36 98.54 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.662 ' C ' ' O ' ' A' ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.553 ' N ' ' O ' ' A' ' 3' ' ' GLY . 3.0 mt -157.45 -64.04 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.418 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.642 ' O ' ' CE2' ' A' ' 14' ' ' TRP . 33.3 Cg_endo -68.07 66.69 0.97 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.623 ' C ' ' HG1' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.704 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 1.3 mm? -93.82 -50.24 5.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.961 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.56 -41.46 96.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.443 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.623 ' HG1' ' C ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.45 71.89 1.29 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.8 p -162.13 -20.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.536 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.55 37.17 7.08 Favored Glycine 0 CA--C 1.509 -0.307 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.645 ' CH2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.58 160.36 16.84 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.615 -0.793 . . . . 0.0 110.48 179.352 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.618 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.6 pt? -44.85 -12.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.078 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.2 -39.64 97.94 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.8 tp -120.85 15.46 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 0.0 109.88 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 76.69 -39.92 0.36 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.305 -179.654 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' A' ' 18' ' ' LEU . 4.9 t 62.02 114.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.474 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.531 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.02 8.19 82.61 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.98 96.25 0.37 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.524 ' O ' HG12 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.54 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -162.9 -55.89 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.447 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 5' ' ' ILE . 46.6 Cg_exo -53.62 -38.18 83.95 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.679 ' C ' ' CD2' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.679 ' CD2' ' C ' ' A' ' 7' ' ' DAL . 1.0 OUTLIER -114.56 -40.43 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.9 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.54 ' CE ' ' HA ' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -66.34 -40.93 90.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.587 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.21 8.52 44.11 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -103.0 -85.24 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.722 0.773 . . . . 0.0 110.446 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.24 43.5 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.625 ' CG ' ' O ' ' A' ' 7' ' ' DAL . 0.0 OUTLIER -64.49 165.14 10.37 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.554 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -56.85 -4.57 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.914 179.446 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.54 ' H ' ' C ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 19' ' ' CYS . . . -61.57 99.25 0.21 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 49.3 tp 66.66 -1.26 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 109.955 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.68 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.62 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.427 179.573 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.68 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER 179.9 -17.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.854 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' N ' HG12 ' A' ' 20' ' ' VAL . 47.0 ptt85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.6 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.738 0.304 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 52.6 Cg_exo . . . . . 0 C--N 1.306 -1.683 0 C-N-CA 122.853 2.368 . . . . 0.0 112.037 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.715 ' N ' HD23 ' A' ' 8' ' ' LEU . 3.6 mt . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.941 0.401 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.446 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.1 m -142.26 -128.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.678 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.51 45.7 1.05 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.646 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.05 163.14 20.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.617 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.564 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.657 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER 82.05 19.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.791 0.329 . . . . 0.0 110.467 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.42 156.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.525 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.551 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 50.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.466 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 0.7 OUTLIER . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.535 0.207 . . . . 0.0 110.741 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.617 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 51.0 Cg_exo . . . . . 0 C--N 1.307 -1.621 0 C-N-CA 122.476 2.117 . . . . 0.0 111.501 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.688 HD22 ' CE2' ' A' ' 14' ' ' TRP . 2.9 mt . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.446 ' HG2' ' H ' ' A' ' 9' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.539 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.92 0 N-CA-C 112.162 -0.375 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.617 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 67.2 m -73.51 -122.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.995 0.398 . . . . 0.0 110.639 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.1 52.58 0.54 Allowed Glycine 0 CA--C 1.509 -0.297 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.82 162.34 16.37 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.673 -0.763 . . . . 0.0 110.624 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 pt? . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.614 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.759 ' C ' HD12 ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.759 HD12 ' C ' ' A' ' 17' ' ' GLY . 11.2 mp -122.17 20.48 10.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 70.03 148.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.129 -179.213 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 52.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.487 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 0.7 OUTLIER . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.559 0.218 . . . . 0.0 110.597 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.655 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 54.6 Cg_exo . . . . . 0 C--N 1.309 -1.523 0 C-N-CA 122.508 2.138 . . . . 0.0 111.757 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.088 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 2.5 mt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.5 mtp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.771 179.518 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.655 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 72.8 m -59.88 -122.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.414 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.47 48.29 0.6 Allowed Glycine 0 CA--C 1.509 -0.289 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 1.088 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.27 157.07 8.94 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.97 -0.615 . . . . 0.0 110.341 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.971 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.814 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.757 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.0 mt -131.57 36.25 3.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 110.121 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.676 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.26 163.14 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.185 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.676 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 62.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 10.2 mt . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.704 0.288 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.686 ' C ' ' SG ' ' A' ' 12' ' ' CYS . 39.8 Cg_exo . . . . . 0 C--N 1.307 -1.606 0 C-N-CA 122.607 2.205 . . . . 0.0 111.651 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.04 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.646 ' C ' ' SD ' ' A' ' 9' ' ' MET . 1.9 ppp? . . . . . 0 N--CA 1.455 -0.215 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.716 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.652 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.737 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.686 ' SG ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -158.57 -25.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 110.549 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.14 46.79 0.91 Allowed Glycine 0 CA--C 1.513 -0.066 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 1.04 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.85 166.94 20.01 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 110.186 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.576 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.3 tp 75.45 23.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.201 0.524 . . . . 0.0 109.881 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.679 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.96 163.48 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.795 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.679 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 43.6 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.632 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.8 mp . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.459 0.171 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 51.0 Cg_exo . . . . . 0 C--N 1.308 -1.585 0 C-N-CA 122.253 1.969 . . . . 0.0 111.694 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.653 HD22 ' CE2' ' A' ' 14' ' ' TRP . 6.2 mt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.228 0.537 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.1 m -147.71 -128.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.796 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.57 50.04 0.79 Allowed Glycine 0 CA--C 1.51 -0.242 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.653 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.29 165.48 22.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.122 179.415 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.51 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 36.4 tp 72.75 22.41 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 109.919 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.702 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.65 166.13 0.27 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.702 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 53.2 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.598 0.237 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 77.6 Cg_exo . . . . . 0 C--N 1.308 -1.564 0 C-N-CA 122.386 2.057 . . . . 0.0 112.329 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.711 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 5.3 mt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.682 0.277 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.421 ' HG3' ' H ' ' A' ' 9' ' ' MET . 5.6 mtm . . . . . 0 N--CA 1.463 0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.596 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.596 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 84.4 m -156.85 -120.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.645 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.45 49.29 0.72 Allowed Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.711 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.34 159.67 26.27 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.038 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.686 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.666 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.4 mt -132.22 36.91 3.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.84 0.352 . . . . 0.0 110.332 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.91 163.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.337 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.678 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 54.2 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.576 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.62 0.248 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 51.9 Cg_exo . . . . . 0 C--N 1.306 -1.659 0 C-N-CA 122.272 1.981 . . . . 0.0 111.499 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.887 HD22 ' CE2' ' A' ' 14' ' ' TRP . 1.1 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.325 0.583 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.473 ' HE1' ' HA ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.966 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.612 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 56.2 m -157.48 -120.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.59 52.99 0.54 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.887 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 161.35 25.26 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.961 -0.619 . . . . 0.0 110.313 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.3 pt? . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.481 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 34.6 tp -145.47 -7.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.705 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 151.46 166.27 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.705 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 45.9 t . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 51.0 mt . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.547 0.213 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.3 Cg_exo . . . . . 0 C--N 1.307 -1.644 0 C-N-CA 122.436 2.091 . . . . 0.0 111.591 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.081 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 3.0 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.639 ' C ' ' SD ' ' A' ' 9' ' ' MET . 1.9 ppp? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.806 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.586 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 56.4 m -154.91 -125.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 110.387 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.55 44.61 1.03 Allowed Glycine 0 C--N 1.328 0.131 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 1.081 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.08 165.43 15.83 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.367 0.603 . . . . 0.0 110.527 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.901 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.314 -0.962 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.875 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.56 -9.62 43.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.125 0.488 . . . . 0.0 109.909 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.975 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER 168.57 -83.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.223 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.975 HG23 ' O ' ' A' ' 19' ' ' CYS . 2.5 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.1 pt . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo . . . . . 0 N--CA 1.496 1.628 0 C-N-CA 122.522 2.148 . . . . 0.0 111.707 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.676 HD22 ' CE2' ' A' ' 14' ' ' TRP . 6.3 mt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.325 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.0 m -146.74 -127.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 110.997 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.43 50.2 0.74 Allowed Glycine 0 C--N 1.329 0.179 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.676 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.71 164.06 20.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.985 -0.607 . . . . 0.0 110.205 179.288 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 92.3 mt -116.84 26.86 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 110.399 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.534 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 76.35 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.265 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.534 ' HB ' ' O ' ' A' ' 19' ' ' CYS . 73.6 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.49 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.901 HG23 ' HD3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.306 0 CA-C-O 120.458 0.17 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.901 ' HD3' HG23 ' A' ' 5' ' ' ILE . 29.9 Cg_endo . . . . . 0 C--N 1.309 -1.521 0 C-N-CA 122.472 2.114 . . . . 0.0 111.8 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.988 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.5 mt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.287 0.565 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.101 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.613 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.613 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 36.8 m -156.65 -129.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 45.79 1.04 Allowed Glycine 0 C--N 1.329 0.184 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.988 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 165.68 15.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.2 0.524 . . . . 0.0 110.298 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.67 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.824 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 62.0 mt 73.33 38.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 0.0 110.162 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.704 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER 66.73 165.79 0.21 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.632 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.704 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 96.4 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.558 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.758 0.313 . . . . 0.0 110.691 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 10.8 Cg_endo . . . . . 0 C--N 1.306 -1.699 0 C-N-CA 123.044 2.496 . . . . 0.0 112.132 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.986 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.6 mt . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.2 mtp . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.15 -179.124 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.492 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.775 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 63.3 m -154.66 -126.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.536 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.75 47.11 0.91 Allowed Glycine 0 C--N 1.332 0.351 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.986 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.3 164.33 20.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.115 -0.543 . . . . 0.0 110.084 179.318 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.543 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.578 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 35.0 tp 69.41 32.65 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 109.839 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER 67.48 140.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.504 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.788 -179.7 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.54 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.793 0.33 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.556 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 49.6 Cg_exo . . . . . 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.723 ' N ' HD23 ' A' ' 8' ' ' LEU . 3.4 mt . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.983 0.421 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.415 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.258 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 60.9 m -148.81 -130.06 0.05 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.371 . . . . 0.0 110.702 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.1 47.12 0.99 Allowed Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.74 163.17 26.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 110.688 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.519 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.79 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 90.4 mt 72.63 22.18 3.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.777 0.323 . . . . 0.0 110.408 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 66.91 161.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.645 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 36.8 mm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.507 0.194 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 51.1 Cg_exo . . . . . 0 C--N 1.307 -1.655 0 C-N-CA 122.344 2.029 . . . . 0.0 111.62 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.744 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.9 mt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.839 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m -111.32 -123.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.23 51.83 0.6 Allowed Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.63 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.95 157.31 28.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.684 -0.758 . . . . 0.0 110.511 179.483 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.943 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.733 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.3 mt -117.71 -16.71 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 161.11 -54.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.598 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.2 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.743 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.668 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.4 mp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.865 0.365 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.668 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 77.8 Cg_exo . . . . . 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.354 . . . . 0.0 112.139 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.022 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 2.6 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.834 0.35 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.2 mtp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.422 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 82.1 m -153.4 -126.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.634 0.73 . . . . 0.0 109.921 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.16 45.6 1.02 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 1.022 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.15 170.08 4.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.729 0.3 . . . . 0.0 110.621 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.522 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.3 mt -121.53 34.68 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.583 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 72.1 -60.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 -179.431 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.674 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.018 0.437 . . . . 0.0 110.06 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 48.8 Cg_exo . . . . . 0 C--N 1.304 -1.77 0 C-N-CA 122.794 2.33 . . . . 0.0 111.97 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.042 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.214 0.53 . . . . 0.0 109.635 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.843 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 9.0 p -66.62 -119.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.073 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -154.71 44.68 0.56 Allowed Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 1.042 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -56.91 153.99 10.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.701 -0.75 . . . . 0.0 110.182 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.812 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.5 pt? . . . . . 0 C--N 1.315 -0.93 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.232 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 mp 74.3 20.77 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.407 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.69 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 68.63 163.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.69 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 52.0 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.499 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.646 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.8 Cg_exo . . . . . 0 C--N 1.305 -1.718 0 C-N-CA 122.67 2.247 . . . . 0.0 111.969 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.954 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.7 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.1 ptm . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.119 178.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.637 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 4.6 m -160.81 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.999 0.428 . . . . 0.0 110.734 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.27 50.06 0.11 Allowed Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.954 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.17 164.95 14.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.603 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.414 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.838 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.8 tt -127.8 -20.71 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 0.0 110.604 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.745 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER 158.54 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.461 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.649 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 18.2 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.636 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.571 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.791 0.329 . . . . 0.0 110.475 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 5' ' ' ILE . 48.6 Cg_exo . . . . . 0 C--N 1.306 -1.683 0 C-N-CA 122.908 2.405 . . . . 0.0 112.485 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.708 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.051 0.453 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.571 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.705 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 30.8 p -138.09 -14.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.605 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.38 36.3 12.74 Favored Glycine 0 CA--C 1.511 -0.214 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.666 ' CH2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.54 161.97 6.96 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.435 0.636 . . . . 0.0 110.389 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.739 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? . . . . . 0 C--N 1.315 -0.906 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.07 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.989 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.2 tt 78.81 -1.19 2.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.242 -179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.63 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.07 -56.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.63 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.589 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.762 0.315 . . . . 0.0 110.355 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.546 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 43.4 Cg_exo . . . . . 0 C--N 1.303 -1.851 0 C-N-CA 122.937 2.424 . . . . 0.0 111.764 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.1 mt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.389 0.614 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.646 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 59.4 m -151.61 -124.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 50.67 0.68 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.72 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.01 162.68 26.33 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.31 179.53 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.537 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.661 ' C ' HD23 ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -135.25 -12.34 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.425 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.673 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER 158.26 -13.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.39 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 O-C-N 123.628 0.58 . . . . 0.0 110.613 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.535 ' N ' ' HB2' ' A' ' 8' ' ' LEU . 3.0 mt . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.764 0.316 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.642 ' O ' ' CE2' ' A' ' 14' ' ' TRP . 33.3 Cg_endo . . . . . 0 C--N 1.307 -1.626 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.768 HD21 ' CZ2' ' A' ' 14' ' ' TRP . 1.3 mm? . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.997 0.427 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.443 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.8 p -162.13 -20.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.536 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.55 37.17 7.08 Favored Glycine 0 CA--C 1.509 -0.307 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.768 ' CZ2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.58 160.36 16.84 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.615 -0.793 . . . . 0.0 110.48 179.352 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.078 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.8 tp -120.85 15.46 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 0.0 109.88 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 76.69 -39.92 0.36 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.305 -179.654 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' H ' ' C ' ' A' ' 18' ' ' LEU . 4.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.474 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.553 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.777 0.322 . . . . 0.0 110.447 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.545 ' N ' HG22 ' A' ' 5' ' ' ILE . 46.6 Cg_exo . . . . . 0 C--N 1.307 -1.642 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.063 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.553 ' CE ' ' HA ' ' A' ' 5' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -103.0 -85.24 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.722 0.773 . . . . 0.0 110.446 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.24 43.5 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 1.063 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.49 165.14 10.37 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.554 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.317 -0.815 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.914 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.541 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 49.3 tp 66.66 -1.26 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 109.955 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.68 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.62 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.427 179.573 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.68 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.41 -10.93 81.27 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.551 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . 133.74 -68.52 0.54 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.648 ' C ' ' HG2' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.6 mt -49.74 -42.78 70.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.86 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.637 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 52.6 Cg_exo -48.58 -27.63 10.9 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.853 2.368 . . . . 0.0 112.037 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.753 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.715 HD23 ' N ' ' A' ' 8' ' ' LEU . 3.6 mt -72.38 -41.44 66.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.941 0.401 . . . . 0.0 110.447 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.648 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 1.0 OUTLIER -66.86 -43.95 82.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.446 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.753 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.12 37.93 2.79 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.1 m -142.26 -128.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.678 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.51 45.7 1.05 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.646 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.05 163.14 20.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.617 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.4 OUTLIER -62.59 6.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.657 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.643 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -54.39 88.15 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER 82.05 19.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.791 0.329 . . . . 0.0 110.467 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.42 156.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.525 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.551 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 50.0 t -124.0 132.39 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 10' ' ' DBB . 41.3 ttm180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.588 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.98 -0.4 66.85 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -149.91 109.11 0.42 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.547 ' O ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.569 ' H ' ' HD2' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -166.9 -51.98 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.741 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.617 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 51.0 Cg_exo -52.47 -36.58 70.55 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.476 2.117 . . . . 0.0 111.501 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.724 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 ' C ' ' A' ' 7' ' ' DAL . 2.9 mt -96.46 -31.58 12.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.526 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -67.76 -41.95 82.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.539 178.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.4 -26.23 13.79 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.162 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.617 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 67.2 m -73.51 -122.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.995 0.398 . . . . 0.0 110.639 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.1 52.58 0.54 Allowed Glycine 0 CA--C 1.509 -0.297 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.82 162.34 16.37 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.673 -0.763 . . . . 0.0 110.624 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 16' ' ' DBU . 1.2 pt? -48.75 -8.81 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.614 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.564 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.759 ' C ' HD12 ' A' ' 18' ' ' LEU . . . -62.17 -43.07 99.63 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.759 HD12 ' C ' ' A' ' 17' ' ' GLY . 11.2 mp -122.17 20.48 10.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 70.03 148.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.129 -179.213 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 52.1 t -123.49 132.11 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 6.1 mmt180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.568 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.07 22.21 71.87 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . -62.09 -38.36 96.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.62 ' H ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.576 ' H ' ' HD2' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -160.21 -55.44 0.01 OUTLIER Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.597 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.656 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 54.6 Cg_exo -50.57 -35.5 46.6 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.508 2.138 . . . . 0.0 111.757 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.901 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.088 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 2.5 mt -102.51 -21.13 14.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.901 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.5 mtp -64.13 -42.28 96.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.771 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.408 ' HG2' ' O ' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 174.98 -30.51 0.09 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 72.8 m -59.88 -122.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.414 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.47 48.29 0.6 Allowed Glycine 0 CA--C 1.509 -0.289 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 1.088 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.27 157.07 8.94 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.97 -0.615 . . . . 0.0 110.341 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.971 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.16 -9.62 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.039 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.68 ' N ' HD22 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.1 -40.0 97.7 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.0 mt -131.57 36.25 3.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 110.121 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.676 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.26 163.14 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.185 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.676 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 62.2 t -123.61 131.91 72.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.649 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.526 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -149.3 -144.84 4.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -126.3 120.2 3.65 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.617 ' N ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 10.2 mt -65.66 -43.65 61.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.507 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.679 ' C ' ' SG ' ' A' ' 12' ' ' CYS . 39.8 Cg_exo -51.88 -147.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.607 2.205 . . . . 0.0 111.651 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.885 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.04 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -96.26 -30.79 13.26 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.526 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.646 ' C ' ' SD ' ' A' ' 9' ' ' MET . 1.9 ppp? -75.71 -40.46 55.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.716 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.527 ' N ' ' HG3' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.652 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . 148.2 66.91 0.01 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.679 ' SG ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -158.57 -25.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 110.549 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.14 46.79 0.91 Allowed Glycine 0 CA--C 1.513 -0.066 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 1.04 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.85 166.94 20.01 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 110.186 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.4 OUTLIER -66.8 8.12 0.3 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.576 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.564 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -55.16 94.74 0.02 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.3 tp 75.45 23.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.201 0.524 . . . . 0.0 109.881 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.679 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.96 163.48 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.795 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.679 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 43.6 t -129.77 133.15 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.632 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.432 ' HG3' HG12 ' A' ' 20' ' ' VAL . 80.0 mtp85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.667 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.9 1.62 90.63 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 5' ' ' ILE . . . 69.95 25.08 76.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.092 ' HG1' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.8 mp -53.32 -38.88 66.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.044 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.65 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 51.0 Cg_exo -50.95 -30.85 32.06 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.253 1.969 . . . . 0.0 111.694 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.711 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.092 HD12 ' HG1' ' A' ' 4' ' ' DBU . 6.2 mt -71.0 -41.01 71.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.228 0.537 . . . . 0.0 110.04 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.649 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.3 OUTLIER -70.51 -51.06 31.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.711 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.17 40.86 2.53 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 7' ' ' DAL . 59.1 m -147.71 -128.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.796 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.57 50.04 0.79 Allowed Glycine 0 CA--C 1.51 -0.242 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.653 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.29 165.48 22.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.122 179.415 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.5 OUTLIER -65.43 6.71 0.27 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.404 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.58 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.51 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -53.89 93.28 0.01 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 36.4 tp 72.75 22.41 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 109.919 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.702 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.65 166.13 0.27 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.702 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.2 t -116.84 131.21 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.561 ' NH2' ' HB2' ' A' ' 9' ' ' MET . 56.1 ttm-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.551 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.478 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -171.15 172.35 44.38 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.68 -126.27 40.56 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.645 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 53.2 mt -50.87 -42.02 76.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.078 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.645 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 77.6 Cg_exo -44.46 -22.19 0.55 Allowed 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.386 2.057 . . . . 0.0 112.329 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.634 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.711 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 5.3 mt -67.68 -37.93 83.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.579 ' HG2' ' HB ' ' A' ' 4' ' ' DBU . 5.6 mtm -60.04 -45.0 94.27 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.634 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.596 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 159.09 58.39 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.596 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 84.4 m -156.85 -120.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.645 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.45 49.29 0.72 Allowed Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.711 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.34 159.67 26.27 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.038 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.731 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.8 OUTLIER -49.49 -6.89 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.666 179.794 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.731 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.28 99.35 Favored Glycine 0 CA--C 1.523 0.591 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.678 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.4 mt -132.22 36.91 3.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.84 0.352 . . . . 0.0 110.332 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.91 163.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.337 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.678 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 54.2 t -122.48 131.71 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.626 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.679 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -170.5 172.42 44.09 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.537 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . 139.98 -29.73 2.42 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.702 ' HB ' ' CB ' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.576 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt -44.81 -43.57 18.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.658 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 51.9 Cg_exo -50.91 -33.97 43.85 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.272 1.981 . . . . 0.0 111.499 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.739 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.887 HD22 ' CE2' ' A' ' 14' ' ' TRP . 1.1 mt -68.52 -37.22 79.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.325 0.583 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.702 ' CB ' ' HB ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER -59.25 -44.58 92.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.966 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.739 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.612 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 167.26 59.04 0.03 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 56.2 m -157.48 -120.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.59 52.99 0.54 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.887 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 161.35 25.26 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.961 -0.619 . . . . 0.0 110.313 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD23 ' N ' ' A' ' 16' ' ' DBU . 1.3 pt? -42.86 -13.53 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.856 ' HG2' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.11 99.82 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 34.6 tp -145.47 -7.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.705 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 151.46 166.27 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.856 ' CG2' ' HG2' ' A' ' 16' ' ' DBU . 45.9 t -117.64 132.34 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 111.103 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.56 179.629 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.404 ' HA3' HD12 ' A' ' 8' ' ' LEU . . . -179.08 -168.62 38.45 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' A' ' 5' ' ' ILE . . . -62.89 -38.73 97.03 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 51.0 mt -79.05 -40.17 1.52 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.135 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.3 Cg_exo -51.19 -38.24 60.61 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.436 2.091 . . . . 0.0 111.591 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.891 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.081 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 3.0 mt -104.36 -31.47 9.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.962 ' HG3' ' H ' ' A' ' 10' ' ' DBB . 1.9 ppp? -66.88 -40.28 87.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.806 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.962 ' H ' ' HG3' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 164.34 59.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.586 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 56.4 m -154.91 -125.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 110.387 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.55 44.61 1.03 Allowed Glycine 0 C--N 1.328 0.131 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 1.081 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.08 165.43 15.83 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.367 0.603 . . . . 0.0 110.527 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.901 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.14 -7.19 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.875 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.866 ' HG2' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.7 -79.61 0.31 Allowed Glycine 0 CA--C 1.523 0.587 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.475 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.56 -9.62 43.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.125 0.488 . . . . 0.0 109.909 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.975 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER 168.57 -83.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.223 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.975 HG23 ' O ' ' A' ' 19' ' ' CYS . 2.5 t -173.57 111.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.427 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.92 -37.56 94.81 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.01 -54.61 0.76 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.662 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.1 pt -57.64 -31.33 9.86 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.915 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo -60.15 -20.19 60.37 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.522 2.148 . . . . 0.0 111.707 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.678 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.676 HD22 ' CE2' ' A' ' 14' ' ' TRP . 6.3 mt -74.41 -43.59 55.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.052 0.453 . . . . 0.0 110.066 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.652 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.0 OUTLIER -65.84 -44.4 85.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.325 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.678 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 39.82 2.17 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.0 m -146.74 -127.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 110.997 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.43 50.2 0.74 Allowed Glycine 0 C--N 1.329 0.179 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.676 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.71 164.06 20.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.985 -0.607 . . . . 0.0 110.205 179.288 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 16' ' ' DBU . 1.0 OUTLIER -56.67 -1.61 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.56 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.55 99.15 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 92.3 mt -116.84 26.86 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 110.399 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.534 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 76.35 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.265 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.534 ' HB ' ' O ' ' A' ' 19' ' ' CYS . 73.6 t 69.48 105.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.49 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.652 -179.83 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.87 156.19 52.39 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.524 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -64.17 -36.39 93.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.882 ' C ' HG22 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.901 HG23 ' HD3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 175.59 -52.06 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.719 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.901 ' HD3' HG23 ' A' ' 5' ' ' ILE . 29.9 Cg_endo -66.08 -14.21 43.37 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.472 2.114 . . . . 0.0 111.8 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.799 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.988 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.5 mt -69.95 -39.35 76.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.287 0.565 . . . . 0.0 109.858 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.623 ' HG2' ' H ' ' A' ' 10' ' ' DBB . 0.2 OUTLIER -60.89 -45.34 94.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.101 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.799 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.613 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 166.81 58.2 0.03 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.613 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 36.8 m -156.65 -129.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 45.79 1.04 Allowed Glycine 0 C--N 1.329 0.184 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.988 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 165.68 15.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.2 0.524 . . . . 0.0 110.298 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.3 OUTLIER -62.97 6.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.824 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.766 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -46.16 88.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 16' ' ' DBU . 62.0 mt 73.33 38.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 0.0 110.162 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.704 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER 66.73 165.79 0.21 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.632 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.704 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 96.4 t -109.24 95.05 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.595 ' NH1' ' O ' ' A' ' 9' ' ' MET . 37.2 ttm180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.632 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.41 19.57 78.02 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.66 -95.96 0.11 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.676 ' C ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.676 ' CG1' ' C ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER -165.18 -59.81 0.01 OUTLIER Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.691 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 10.8 Cg_endo -53.12 -11.27 1.51 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.044 2.496 . . . . 0.0 112.132 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.843 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.986 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.6 mt -67.0 -35.49 80.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.479 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.583 ' HG2' ' HB ' ' A' ' 4' ' ' DBU . 60.2 mtp -61.78 -42.07 98.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.15 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.843 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.508 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 171.47 57.88 0.04 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 63.3 m -154.66 -126.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.536 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.75 47.11 0.91 Allowed Glycine 0 C--N 1.332 0.351 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.986 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.3 164.33 20.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.115 -0.543 . . . . 0.0 110.084 179.318 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.781 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.3 OUTLIER -62.9 7.17 0.08 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.781 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -51.02 98.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 35.0 tp 69.41 32.65 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 109.839 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER 67.48 140.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.504 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.594 ' CG2' ' CG ' ' A' ' 16' ' ' DBU . 75.4 t -63.33 -45.13 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.788 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.513 ' OXT' ' HA ' ' A' ' 10' ' ' DBB . 59.7 ttt85 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.603 ' CA ' HD11 ' A' ' 8' ' ' LEU . . . -160.03 105.54 0.27 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.26 19.11 0.82 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.625 ' C ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.625 ' CG1' ' C ' ' A' ' 4' ' ' DBU . 0.0 OUTLIER -163.51 -54.55 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.538 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.556 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 49.6 Cg_exo -54.33 -30.03 60.72 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.814 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 8' ' ' LEU . 3.4 mt -71.16 -41.94 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.983 0.421 . . . . 0.0 110.197 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.624 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.3 OUTLIER -66.78 -40.87 88.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.258 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.814 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.58 44.05 1.38 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 60.9 m -148.81 -130.06 0.05 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.371 . . . . 0.0 110.702 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.1 47.12 0.99 Allowed Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.74 163.17 26.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 110.688 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.5 OUTLIER -62.35 8.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.79 179.421 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.559 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -51.6 94.37 0.01 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 90.4 mt 72.63 22.18 3.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.777 0.323 . . . . 0.0 110.408 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 66.91 161.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.645 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t -124.82 131.78 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.627 179.928 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.27 22.96 0.15 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.558 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . 178.47 -135.58 2.68 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.803 ' H2 ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 36.8 mm -49.25 -40.39 46.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.803 ' HD2' ' H2 ' ' A' ' 4' ' ' DBU . 51.1 Cg_exo -51.47 -32.48 43.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.344 2.029 . . . . 0.0 111.62 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.801 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.9 mt -73.35 -41.07 63.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.637 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.2 OUTLIER -63.12 -48.04 80.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.801 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.35 6.02 25.9 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m -111.32 -123.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.23 51.83 0.6 Allowed Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.63 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.95 157.31 28.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.684 -0.758 . . . . 0.0 110.511 179.483 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.943 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -46.2 -9.15 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.733 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.671 ' N ' HD22 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.26 -50.61 61.39 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.3 mt -117.71 -16.71 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 161.11 -54.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.598 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.2 t 56.76 131.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.743 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.507 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.427 ' H3 ' HD13 ' A' ' 8' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.17 -34.01 8.44 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.38 -108.18 0.13 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.67 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.703 ' H ' HD12 ' A' ' 5' ' ' ILE . 3.4 mp -53.75 -41.78 89.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.573 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.67 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 77.8 Cg_exo -44.3 -17.24 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.354 . . . . 0.0 112.139 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.737 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.022 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 2.6 mt -68.05 -36.31 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.597 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 4' ' ' DBU . 3.2 mtp -60.11 -42.12 94.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.737 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 163.71 57.02 0.02 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 82.1 m -153.4 -126.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.634 0.73 . . . . 0.0 109.921 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.16 45.6 1.02 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 1.022 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.15 170.08 4.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.729 0.3 . . . . 0.0 110.621 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.6 OUTLIER -61.59 4.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.522 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.603 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.94 -41.52 94.33 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.3 mt -121.53 34.68 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.583 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 72.1 -60.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 -179.431 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.674 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.8 t 80.14 119.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.559 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.65 -171.62 41.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.475 ' H ' HD12 ' A' ' 8' ' ' LEU . . . -62.84 -38.93 97.34 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.585 ' HB ' ' HE2' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.57 ' CB ' ' O ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER 156.15 -49.73 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.06 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 48.8 Cg_exo -53.53 -37.42 82.67 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.794 2.33 . . . . 0.0 111.97 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 1.196 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.196 HD23 ' C ' ' A' ' 7' ' ' DAL . 0.4 OUTLIER -112.12 -35.0 5.78 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.932 -179.733 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.585 ' HE2' ' HB ' ' A' ' 4' ' ' DBU . 0.3 OUTLIER -66.02 -41.32 91.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.214 0.53 . . . . 0.0 109.635 178.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.93 -30.09 6.78 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 9.0 p -66.62 -119.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.073 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -154.71 44.68 0.56 Allowed Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 1.042 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -56.91 153.99 10.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.701 -0.75 . . . . 0.0 110.182 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.812 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.5 pt? -45.21 -11.08 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.232 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -54.19 91.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 mp 74.3 20.77 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.407 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.69 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 68.63 163.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.69 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 52.0 t -121.21 131.06 73.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.593 -179.835 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.0 -4.8 68.24 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 5' ' ' ILE . . . -149.61 111.55 0.52 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.818 ' HG1' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.646 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.3 mt -52.84 -41.89 87.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.799 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.8 Cg_exo -50.42 -38.02 52.42 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.67 2.247 . . . . 0.0 111.969 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.902 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.954 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.7 mt -101.33 -27.01 13.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.467 ' HB3' ' N ' ' A' ' 4' ' ' DBU . 20.1 ptm -78.43 -38.31 41.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.119 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.46 ' N ' ' CG ' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.637 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 154.07 64.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 4.6 m -160.81 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.999 0.428 . . . . 0.0 110.734 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.27 50.06 0.11 Allowed Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.954 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.17 164.95 14.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.603 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? -45.18 -12.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.414 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.699 ' HG1' HG21 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.86 -43.64 97.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.838 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.8 tt -127.8 -20.71 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 0.0 110.604 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.745 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER 158.54 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.461 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.699 HG21 ' HG1' ' A' ' 16' ' ' DBU . 18.2 t 70.77 -112.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.636 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' CE3' ' A' ' 14' ' ' TRP . 95.3 mtt180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.406 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.486 ' HA3' ' HD3' ' A' ' 6' ' ' PRO . . . -63.1 -41.2 99.82 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.702 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . 64.1 34.58 90.3 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.702 ' HG2' ' O ' ' A' ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.571 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.3 OUTLIER -170.99 -54.19 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.475 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 5' ' ' ILE . 48.6 Cg_exo -52.44 -40.12 72.25 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.908 2.405 . . . . 0.0 112.485 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.689 ' C ' HD22 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.708 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 1.1 mm? -95.16 -51.54 4.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.167 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.571 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -63.62 -41.68 98.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.705 179.36 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.68 ' HG3' ' C ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' H ' ' HB2' ' A' ' 19' ' ' CYS . . . 97.81 38.53 4.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 30.8 p -138.09 -14.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.605 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.38 36.3 12.74 Favored Glycine 0 CA--C 1.511 -0.214 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.666 ' CH2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.54 161.97 6.96 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.435 0.636 . . . . 0.0 110.389 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.739 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? -50.29 -9.06 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.07 179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.517 ' CB ' ' HA ' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -66.75 85.25 0.11 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.989 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.2 tt 78.81 -1.19 2.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.242 -179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.63 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.07 -56.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.63 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.2 p 177.89 -16.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.592 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.506 ' HA3' ' HD3' ' A' ' 6' ' ' PRO . . . -65.03 -42.47 96.7 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.741 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . 68.6 33.84 77.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.66 ' HG2' ' O ' ' A' ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.589 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -167.89 -53.53 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.546 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 43.4 Cg_exo -55.33 -27.4 57.53 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.937 2.424 . . . . 0.0 111.764 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.754 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.1 mt -69.81 -42.11 74.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 109.647 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.6 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER -64.63 -43.94 92.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.646 179.415 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.754 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' H ' ' HB2' ' A' ' 19' ' ' CYS . . . 106.27 47.53 1.06 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 59.4 m -151.61 -124.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 50.67 0.68 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.72 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.01 162.68 26.33 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.31 179.53 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.9 OUTLIER -46.9 -10.65 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.537 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 1.109 ' HG1' HG23 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.661 ' C ' HD23 ' A' ' 18' ' ' LEU . . . -63.9 -42.84 98.22 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -135.25 -12.34 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.425 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.698 ' O ' ' HG1' ' A' ' 10' ' ' DBB . 0.0 OUTLIER 158.26 -13.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.39 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.109 HG23 ' HG1' ' A' ' 16' ' ' DBU . 0.3 OUTLIER 95.68 -32.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 123.628 0.58 . . . . 0.0 110.613 -179.6 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.62 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.793 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.78 -38.24 95.87 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.662 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . -63.63 -40.36 98.54 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.793 ' HG2' ' O ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.553 ' N ' ' O ' ' A' ' 3' ' ' GLY . 3.0 mt -157.45 -64.04 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.418 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.642 ' O ' ' CE2' ' A' ' 14' ' ' TRP . 33.3 Cg_endo -68.07 66.69 0.97 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.682 ' C ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.768 HD21 ' CZ2' ' A' ' 14' ' ' TRP . 1.3 mm? -93.82 -50.24 5.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.961 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.56 -41.46 96.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.443 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.682 ' HG3' ' C ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.45 71.89 1.29 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.8 p -162.13 -20.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.536 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.55 37.17 7.08 Favored Glycine 0 CA--C 1.509 -0.307 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.768 ' CZ2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.58 160.36 16.84 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.615 -0.793 . . . . 0.0 110.48 179.352 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.6 pt? -44.85 -12.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.078 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.2 -39.64 97.94 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.8 tp -120.85 15.46 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 0.0 109.88 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 76.69 -39.92 0.36 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.305 -179.654 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' H ' ' C ' ' A' ' 18' ' ' LEU . 4.9 t 62.02 114.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.474 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.531 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.02 8.19 82.61 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.98 96.25 0.37 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.523 ' O ' HG12 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.553 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -162.9 -55.89 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.447 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' N ' HG22 ' A' ' 5' ' ' ILE . 46.6 Cg_exo -53.62 -38.18 83.95 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 1.222 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.222 HD23 ' C ' ' A' ' 7' ' ' DAL . 1.0 OUTLIER -114.56 -40.43 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.9 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.553 ' CE ' ' HA ' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -66.34 -40.93 90.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.587 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.434 ' H ' ' HB2' ' A' ' 19' ' ' CYS . . . 102.21 8.52 44.11 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -103.0 -85.24 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.722 0.773 . . . . 0.0 110.446 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.24 43.5 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 1.063 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.49 165.14 10.37 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.554 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -56.85 -4.57 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.914 179.446 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.63 ' CG ' HG23 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -61.57 99.25 0.21 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 49.3 tp 66.66 -1.26 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 109.955 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.68 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.62 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.427 179.573 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.68 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER 179.9 -17.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.854 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.546 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.6 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.738 0.304 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 52.6 Cg_exo . . . . . 0 C--N 1.306 -1.683 0 C-N-CA 122.853 2.368 . . . . 0.0 112.037 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.715 ' N ' HD23 ' A' ' 8' ' ' LEU . 3.6 mt . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.941 0.401 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.446 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.1 m -142.26 -128.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.678 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.51 45.7 1.05 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.646 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.05 163.14 20.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.617 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.564 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.657 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER 82.05 19.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.791 0.329 . . . . 0.0 110.467 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.42 156.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.525 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.551 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 50.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.466 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 0.7 OUTLIER . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.535 0.207 . . . . 0.0 110.741 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.617 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 51.0 Cg_exo . . . . . 0 C--N 1.307 -1.621 0 C-N-CA 122.476 2.117 . . . . 0.0 111.501 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.688 HD22 ' CE2' ' A' ' 14' ' ' TRP . 2.9 mt . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.446 ' HG2' ' H ' ' A' ' 9' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.539 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.92 0 N-CA-C 112.162 -0.375 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.617 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 67.2 m -73.51 -122.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.995 0.398 . . . . 0.0 110.639 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.1 52.58 0.54 Allowed Glycine 0 CA--C 1.509 -0.297 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.82 162.34 16.37 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.673 -0.763 . . . . 0.0 110.624 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 pt? . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.614 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.759 ' C ' HD12 ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.759 HD12 ' C ' ' A' ' 17' ' ' GLY . 11.2 mp -122.17 20.48 10.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 70.03 148.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.129 -179.213 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 52.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.487 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 0.7 OUTLIER . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.559 0.218 . . . . 0.0 110.597 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.655 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 54.6 Cg_exo . . . . . 0 C--N 1.309 -1.523 0 C-N-CA 122.508 2.138 . . . . 0.0 111.757 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.088 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 2.5 mt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.5 mtp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.771 179.518 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.655 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 72.8 m -59.88 -122.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.414 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.47 48.29 0.6 Allowed Glycine 0 CA--C 1.509 -0.289 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 1.088 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.27 157.07 8.94 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.97 -0.615 . . . . 0.0 110.341 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.971 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.814 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.757 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.0 mt -131.57 36.25 3.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 110.121 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.676 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.26 163.14 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.185 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.676 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 62.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 10.2 mt . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.704 0.288 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.686 ' C ' ' SG ' ' A' ' 12' ' ' CYS . 39.8 Cg_exo . . . . . 0 C--N 1.307 -1.606 0 C-N-CA 122.607 2.205 . . . . 0.0 111.651 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.04 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.646 ' C ' ' SD ' ' A' ' 9' ' ' MET . 1.9 ppp? . . . . . 0 N--CA 1.455 -0.215 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.716 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.652 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.737 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.686 ' SG ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -158.57 -25.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 110.549 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.14 46.79 0.91 Allowed Glycine 0 CA--C 1.513 -0.066 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 1.04 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.85 166.94 20.01 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 110.186 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.576 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.3 tp 75.45 23.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.201 0.524 . . . . 0.0 109.881 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.679 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.96 163.48 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.795 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.679 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 43.6 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.632 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.8 mp . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.459 0.171 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 51.0 Cg_exo . . . . . 0 C--N 1.308 -1.585 0 C-N-CA 122.253 1.969 . . . . 0.0 111.694 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.653 HD22 ' CE2' ' A' ' 14' ' ' TRP . 6.2 mt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.228 0.537 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.1 m -147.71 -128.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.796 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.57 50.04 0.79 Allowed Glycine 0 CA--C 1.51 -0.242 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.653 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.29 165.48 22.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.122 179.415 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.51 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 36.4 tp 72.75 22.41 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 109.919 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.702 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.65 166.13 0.27 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.702 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 53.2 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.598 0.237 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 77.6 Cg_exo . . . . . 0 C--N 1.308 -1.564 0 C-N-CA 122.386 2.057 . . . . 0.0 112.329 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.711 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 5.3 mt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.682 0.277 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.421 ' HG3' ' H ' ' A' ' 9' ' ' MET . 5.6 mtm . . . . . 0 N--CA 1.463 0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.596 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.596 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 84.4 m -156.85 -120.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.645 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.45 49.29 0.72 Allowed Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.711 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.34 159.67 26.27 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.038 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.686 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.666 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.4 mt -132.22 36.91 3.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.84 0.352 . . . . 0.0 110.332 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.91 163.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.337 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.678 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 54.2 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.576 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.62 0.248 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 51.9 Cg_exo . . . . . 0 C--N 1.306 -1.659 0 C-N-CA 122.272 1.981 . . . . 0.0 111.499 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.887 HD22 ' CE2' ' A' ' 14' ' ' TRP . 1.1 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.325 0.583 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.473 ' HE1' ' HA ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.966 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.612 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 56.2 m -157.48 -120.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.59 52.99 0.54 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.887 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 161.35 25.26 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.961 -0.619 . . . . 0.0 110.313 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.3 pt? . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.481 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 34.6 tp -145.47 -7.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.705 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 151.46 166.27 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.705 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 45.9 t . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 51.0 mt . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.547 0.213 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.3 Cg_exo . . . . . 0 C--N 1.307 -1.644 0 C-N-CA 122.436 2.091 . . . . 0.0 111.591 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.081 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 3.0 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.639 ' C ' ' SD ' ' A' ' 9' ' ' MET . 1.9 ppp? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.806 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.586 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 56.4 m -154.91 -125.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 110.387 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.55 44.61 1.03 Allowed Glycine 0 C--N 1.328 0.131 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 1.081 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.08 165.43 15.83 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.367 0.603 . . . . 0.0 110.527 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.901 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.314 -0.962 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.875 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.56 -9.62 43.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.125 0.488 . . . . 0.0 109.909 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.975 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER 168.57 -83.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.223 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.975 HG23 ' O ' ' A' ' 19' ' ' CYS . 2.5 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.1 pt . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo . . . . . 0 N--CA 1.496 1.628 0 C-N-CA 122.522 2.148 . . . . 0.0 111.707 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.676 HD22 ' CE2' ' A' ' 14' ' ' TRP . 6.3 mt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.325 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.0 m -146.74 -127.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 110.997 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.43 50.2 0.74 Allowed Glycine 0 C--N 1.329 0.179 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.676 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.71 164.06 20.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.985 -0.607 . . . . 0.0 110.205 179.288 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 92.3 mt -116.84 26.86 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 110.399 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.534 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 76.35 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.265 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.534 ' HB ' ' O ' ' A' ' 19' ' ' CYS . 73.6 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.49 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.901 HG23 ' HD3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.306 0 CA-C-O 120.458 0.17 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.901 ' HD3' HG23 ' A' ' 5' ' ' ILE . 29.9 Cg_endo . . . . . 0 C--N 1.309 -1.521 0 C-N-CA 122.472 2.114 . . . . 0.0 111.8 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.988 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.5 mt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.287 0.565 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.101 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.613 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.613 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 36.8 m -156.65 -129.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 45.79 1.04 Allowed Glycine 0 C--N 1.329 0.184 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.988 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 165.68 15.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.2 0.524 . . . . 0.0 110.298 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.67 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.824 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 62.0 mt 73.33 38.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 0.0 110.162 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.704 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER 66.73 165.79 0.21 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.632 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.704 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 96.4 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.558 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.758 0.313 . . . . 0.0 110.691 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 10.8 Cg_endo . . . . . 0 C--N 1.306 -1.699 0 C-N-CA 123.044 2.496 . . . . 0.0 112.132 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.986 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.6 mt . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.2 mtp . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.15 -179.124 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.492 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.775 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 63.3 m -154.66 -126.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.536 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.75 47.11 0.91 Allowed Glycine 0 C--N 1.332 0.351 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.986 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.3 164.33 20.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.115 -0.543 . . . . 0.0 110.084 179.318 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.543 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.578 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 35.0 tp 69.41 32.65 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 109.839 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER 67.48 140.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.504 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.788 -179.7 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.54 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.793 0.33 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.556 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 49.6 Cg_exo . . . . . 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.723 ' N ' HD23 ' A' ' 8' ' ' LEU . 3.4 mt . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.983 0.421 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.415 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.258 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 60.9 m -148.81 -130.06 0.05 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.371 . . . . 0.0 110.702 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.1 47.12 0.99 Allowed Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.74 163.17 26.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 110.688 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.519 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.79 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 90.4 mt 72.63 22.18 3.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.777 0.323 . . . . 0.0 110.408 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 66.91 161.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.645 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 36.8 mm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.507 0.194 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 51.1 Cg_exo . . . . . 0 C--N 1.307 -1.655 0 C-N-CA 122.344 2.029 . . . . 0.0 111.62 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.744 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.9 mt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.839 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m -111.32 -123.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.23 51.83 0.6 Allowed Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.63 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.95 157.31 28.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.684 -0.758 . . . . 0.0 110.511 179.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.943 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.733 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.3 mt -117.71 -16.71 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 161.11 -54.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.598 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.2 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.743 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.668 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 3.4 mp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.865 0.365 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.668 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 77.8 Cg_exo . . . . . 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.354 . . . . 0.0 112.139 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.022 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 2.6 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.834 0.35 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.2 mtp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.656 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.422 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 82.1 m -153.4 -126.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.634 0.73 . . . . 0.0 109.921 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.16 45.6 1.02 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 1.022 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.15 170.08 4.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.729 0.3 . . . . 0.0 110.621 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' C ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.522 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.3 mt -121.53 34.68 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.583 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 72.1 -60.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 -179.431 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.674 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.018 0.437 . . . . 0.0 110.06 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 48.8 Cg_exo . . . . . 0 C--N 1.304 -1.77 0 C-N-CA 122.794 2.33 . . . . 0.0 111.97 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.042 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.214 0.53 . . . . 0.0 109.635 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.843 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 9.0 p -66.62 -119.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.073 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -154.71 44.68 0.56 Allowed Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 1.042 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -56.91 153.99 10.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.701 -0.75 . . . . 0.0 110.182 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.812 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.5 pt? . . . . . 0 C--N 1.315 -0.93 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.232 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 mp 74.3 20.77 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.407 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.69 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 68.63 163.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.69 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 52.0 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.499 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.646 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.8 Cg_exo . . . . . 0 C--N 1.305 -1.718 0 C-N-CA 122.67 2.247 . . . . 0.0 111.969 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.954 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.7 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.1 ptm . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.119 178.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.637 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 4.6 m -160.81 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.999 0.428 . . . . 0.0 110.734 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.27 50.06 0.11 Allowed Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.954 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.17 164.95 14.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.603 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.414 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.838 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.8 tt -127.8 -20.71 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 0.0 110.604 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.745 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER 158.54 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.461 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.649 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 18.2 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.636 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.571 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.791 0.329 . . . . 0.0 110.475 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 5' ' ' ILE . 48.6 Cg_exo . . . . . 0 C--N 1.306 -1.683 0 C-N-CA 122.908 2.405 . . . . 0.0 112.485 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.708 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.051 0.453 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.571 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.705 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 30.8 p -138.09 -14.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.605 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.38 36.3 12.74 Favored Glycine 0 CA--C 1.511 -0.214 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.666 ' CH2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.54 161.97 6.96 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.435 0.636 . . . . 0.0 110.389 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.739 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? . . . . . 0 C--N 1.315 -0.906 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.07 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.989 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.2 tt 78.81 -1.19 2.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.242 -179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.63 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.07 -56.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.63 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.589 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.762 0.315 . . . . 0.0 110.355 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.546 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 43.4 Cg_exo . . . . . 0 C--N 1.303 -1.851 0 C-N-CA 122.937 2.424 . . . . 0.0 111.764 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.1 mt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.389 0.614 . . . . 0.0 109.647 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.646 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 59.4 m -151.61 -124.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 50.67 0.68 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.72 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.01 162.68 26.33 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.31 179.53 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.537 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.661 ' C ' HD23 ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -135.25 -12.34 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.425 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.673 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER 158.26 -13.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.39 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 O-C-N 123.628 0.58 . . . . 0.0 110.613 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.535 ' N ' ' HB2' ' A' ' 8' ' ' LEU . 3.0 mt . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.764 0.316 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.642 ' O ' ' CE2' ' A' ' 14' ' ' TRP . 33.3 Cg_endo . . . . . 0 C--N 1.307 -1.626 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.768 HD21 ' CZ2' ' A' ' 14' ' ' TRP . 1.3 mm? . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.997 0.427 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.443 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.8 p -162.13 -20.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.536 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.55 37.17 7.08 Favored Glycine 0 CA--C 1.509 -0.307 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.768 ' CZ2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.58 160.36 16.84 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.615 -0.793 . . . . 0.0 110.48 179.352 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.078 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.8 tp -120.85 15.46 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 0.0 109.88 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 76.69 -39.92 0.36 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.305 -179.654 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' H ' ' C ' ' A' ' 18' ' ' LEU . 4.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.474 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.553 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.777 0.322 . . . . 0.0 110.447 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.545 ' N ' HG22 ' A' ' 5' ' ' ILE . 46.6 Cg_exo . . . . . 0 C--N 1.307 -1.642 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.063 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.553 ' CE ' ' HA ' ' A' ' 5' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -103.0 -85.24 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.722 0.773 . . . . 0.0 110.446 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.24 43.5 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 1.063 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.49 165.14 10.37 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.554 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.317 -0.815 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.914 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.523 0.541 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 49.3 tp 66.66 -1.26 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 109.955 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.68 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.62 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.427 179.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.68 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.41 -10.93 81.27 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.551 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . 133.74 -68.52 0.54 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.648 ' C ' ' HG2' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.6 mt -49.74 -42.78 70.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.86 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.637 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 52.6 Cg_exo -48.58 -27.63 10.9 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.853 2.368 . . . . 0.0 112.037 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.753 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.715 HD23 ' N ' ' A' ' 8' ' ' LEU . 3.6 mt -72.38 -41.44 66.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.941 0.401 . . . . 0.0 110.447 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.648 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 1.0 OUTLIER -66.86 -43.95 82.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.446 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.753 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.12 37.93 2.79 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.1 m -142.26 -128.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.678 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.51 45.7 1.05 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.646 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.05 163.14 20.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.617 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.4 OUTLIER -62.59 6.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.657 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.643 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 18' ' ' LEU . . . -54.39 88.15 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER 82.05 19.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.791 0.329 . . . . 0.0 110.467 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.42 156.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.525 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.551 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 50.0 t -124.0 132.39 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 10' ' ' DBB . 41.3 ttm180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.588 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.98 -0.4 66.85 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -149.91 109.11 0.42 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.547 ' O ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.569 ' H ' ' HD2' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -166.9 -51.98 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.741 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.617 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 51.0 Cg_exo -52.47 -36.58 70.55 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.476 2.117 . . . . 0.0 111.501 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.724 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 ' C ' ' A' ' 7' ' ' DAL . 2.9 mt -96.46 -31.58 12.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.526 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -67.76 -41.95 82.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.539 178.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.4 -26.23 13.79 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.162 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.617 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 67.2 m -73.51 -122.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.995 0.398 . . . . 0.0 110.639 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.1 52.58 0.54 Allowed Glycine 0 CA--C 1.509 -0.297 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.82 162.34 16.37 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.673 -0.763 . . . . 0.0 110.624 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 16' ' ' DBU . 1.2 pt? -48.75 -8.81 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.614 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.564 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.759 ' C ' HD12 ' A' ' 18' ' ' LEU . . . -62.17 -43.07 99.63 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.759 HD12 ' C ' ' A' ' 17' ' ' GLY . 11.2 mp -122.17 20.48 10.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 70.03 148.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.129 -179.213 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 52.1 t -123.49 132.11 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.601 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 6.1 mmt180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.568 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.07 22.21 71.87 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . -62.09 -38.36 96.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.62 ' H ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.576 ' H ' ' HD2' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -160.21 -55.44 0.01 OUTLIER Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.597 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.656 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 54.6 Cg_exo -50.57 -35.5 46.6 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.508 2.138 . . . . 0.0 111.757 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.901 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.088 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 2.5 mt -102.51 -21.13 14.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.901 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.5 mtp -64.13 -42.28 96.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.771 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.408 ' HG2' ' O ' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 174.98 -30.51 0.09 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 72.8 m -59.88 -122.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.414 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.47 48.29 0.6 Allowed Glycine 0 CA--C 1.509 -0.289 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 1.088 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.27 157.07 8.94 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.97 -0.615 . . . . 0.0 110.341 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.971 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.16 -9.62 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.039 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.68 ' N ' HD22 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.1 -40.0 97.7 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.0 mt -131.57 36.25 3.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 110.121 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.676 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.26 163.14 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.185 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.676 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 62.2 t -123.61 131.91 72.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.649 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.526 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -149.3 -144.84 4.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -126.3 120.2 3.65 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.617 ' N ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 10.2 mt -65.66 -43.65 61.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.507 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.679 ' C ' ' SG ' ' A' ' 12' ' ' CYS . 39.8 Cg_exo -51.88 -147.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.607 2.205 . . . . 0.0 111.651 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.885 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.04 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -96.26 -30.79 13.26 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.526 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.646 ' C ' ' SD ' ' A' ' 9' ' ' MET . 1.9 ppp? -75.71 -40.46 55.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.716 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.527 ' N ' ' HG3' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.652 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . 148.2 66.91 0.01 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.679 ' SG ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -158.57 -25.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.093 0.473 . . . . 0.0 110.549 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.14 46.79 0.91 Allowed Glycine 0 CA--C 1.513 -0.066 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 1.04 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.85 166.94 20.01 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 110.186 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.4 OUTLIER -66.8 8.12 0.3 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.576 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.564 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -55.16 94.74 0.02 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.3 tp 75.45 23.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.201 0.524 . . . . 0.0 109.881 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.679 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 68.96 163.48 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.795 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.679 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 43.6 t -129.77 133.15 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.632 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.432 ' HG3' HG12 ' A' ' 20' ' ' VAL . 80.0 mtp85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.667 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.9 1.62 90.63 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 5' ' ' ILE . . . 69.95 25.08 76.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.092 ' HG1' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.8 mp -53.32 -38.88 66.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.044 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.65 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 51.0 Cg_exo -50.95 -30.85 32.06 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.253 1.969 . . . . 0.0 111.694 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.711 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.092 HD12 ' HG1' ' A' ' 4' ' ' DBU . 6.2 mt -71.0 -41.01 71.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.228 0.537 . . . . 0.0 110.04 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.649 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.3 OUTLIER -70.51 -51.06 31.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.711 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.17 40.86 2.53 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 7' ' ' DAL . 59.1 m -147.71 -128.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.796 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.57 50.04 0.79 Allowed Glycine 0 CA--C 1.51 -0.242 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.653 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -70.29 165.48 22.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.096 -0.552 . . . . 0.0 110.122 179.415 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.5 OUTLIER -65.43 6.71 0.27 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.404 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.58 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.51 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -53.89 93.28 0.01 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 36.4 tp 72.75 22.41 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 109.919 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.702 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.65 166.13 0.27 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.702 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.2 t -116.84 131.21 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.561 ' NH2' ' HB2' ' A' ' 9' ' ' MET . 56.1 ttm-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.551 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.478 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -171.15 172.35 44.38 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.68 -126.27 40.56 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.645 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 53.2 mt -50.87 -42.02 76.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.078 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.645 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 77.6 Cg_exo -44.46 -22.19 0.55 Allowed 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.386 2.057 . . . . 0.0 112.329 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.634 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.711 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 5.3 mt -67.68 -37.93 83.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.579 ' HG2' ' HB ' ' A' ' 4' ' ' DBU . 5.6 mtm -60.04 -45.0 94.27 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.634 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.596 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 159.09 58.39 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.596 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 84.4 m -156.85 -120.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.645 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.45 49.29 0.72 Allowed Glycine 0 CA--C 1.51 -0.28 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.711 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.34 159.67 26.27 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.038 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.731 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.8 OUTLIER -49.49 -6.89 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.666 179.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.731 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.28 99.35 Favored Glycine 0 CA--C 1.523 0.591 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.678 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.4 mt -132.22 36.91 3.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.84 0.352 . . . . 0.0 110.332 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 69.91 163.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.337 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.678 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 54.2 t -122.48 131.71 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.626 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.679 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -170.5 172.42 44.09 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.537 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . 139.98 -29.73 2.42 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.702 ' HB ' ' CB ' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.576 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt -44.81 -43.57 18.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.658 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 51.9 Cg_exo -50.91 -33.97 43.85 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.272 1.981 . . . . 0.0 111.499 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.739 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.887 HD22 ' CE2' ' A' ' 14' ' ' TRP . 1.1 mt -68.52 -37.22 79.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.325 0.583 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.702 ' CB ' ' HB ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER -59.25 -44.58 92.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.966 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.739 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.612 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 167.26 59.04 0.03 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 56.2 m -157.48 -120.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.59 52.99 0.54 Allowed Glycine 0 CA--C 1.51 -0.243 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.887 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 161.35 25.26 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.961 -0.619 . . . . 0.0 110.313 179.577 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD23 ' N ' ' A' ' 16' ' ' DBU . 1.3 pt? -42.86 -13.53 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.856 ' HG2' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.11 99.82 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 34.6 tp -145.47 -7.0 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.705 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 151.46 166.27 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.856 ' CG2' ' HG2' ' A' ' 16' ' ' DBU . 45.9 t -117.64 132.34 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 111.103 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.56 179.629 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.404 ' HA3' HD12 ' A' ' 8' ' ' LEU . . . -179.08 -168.62 38.45 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' A' ' 5' ' ' ILE . . . -62.89 -38.73 97.03 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 51.0 mt -79.05 -40.17 1.52 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.135 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.3 Cg_exo -51.19 -38.24 60.61 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.436 2.091 . . . . 0.0 111.591 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.891 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.081 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 3.0 mt -104.36 -31.47 9.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.962 ' HG3' ' H ' ' A' ' 10' ' ' DBB . 1.9 ppp? -66.88 -40.28 87.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.806 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.962 ' H ' ' HG3' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 164.34 59.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.586 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 56.4 m -154.91 -125.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 110.387 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.55 44.61 1.03 Allowed Glycine 0 C--N 1.328 0.131 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 1.081 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.08 165.43 15.83 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.367 0.603 . . . . 0.0 110.527 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.901 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.14 -7.19 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.875 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.866 ' HG2' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.7 -79.61 0.31 Allowed Glycine 0 CA--C 1.523 0.587 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.475 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.56 -9.62 43.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.125 0.488 . . . . 0.0 109.909 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.975 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER 168.57 -83.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.223 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.975 HG23 ' O ' ' A' ' 19' ' ' CYS . 2.5 t -173.57 111.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.458 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.427 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.92 -37.56 94.81 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.01 -54.61 0.76 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.662 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.1 pt -57.64 -31.33 9.86 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.915 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo -60.15 -20.19 60.37 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.522 2.148 . . . . 0.0 111.707 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.678 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.676 HD22 ' CE2' ' A' ' 14' ' ' TRP . 6.3 mt -74.41 -43.59 55.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.052 0.453 . . . . 0.0 110.066 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.652 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.0 OUTLIER -65.84 -44.4 85.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.325 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.678 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 39.82 2.17 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.0 m -146.74 -127.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 110.997 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.43 50.2 0.74 Allowed Glycine 0 C--N 1.329 0.179 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.676 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.71 164.06 20.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.985 -0.607 . . . . 0.0 110.205 179.288 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 16' ' ' DBU . 1.0 OUTLIER -56.67 -1.61 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.56 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.55 99.15 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 92.3 mt -116.84 26.86 9.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 110.399 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.534 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 76.35 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.265 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.534 ' HB ' ' O ' ' A' ' 19' ' ' CYS . 73.6 t 69.48 105.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.49 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.652 -179.83 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.87 156.19 52.39 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.524 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -64.17 -36.39 93.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.882 ' C ' HG22 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.901 HG23 ' HD3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 175.59 -52.06 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.719 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.901 ' HD3' HG23 ' A' ' 5' ' ' ILE . 29.9 Cg_endo -66.08 -14.21 43.37 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.472 2.114 . . . . 0.0 111.8 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.799 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.988 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.5 mt -69.95 -39.35 76.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.287 0.565 . . . . 0.0 109.858 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.623 ' HG2' ' H ' ' A' ' 10' ' ' DBB . 0.2 OUTLIER -60.89 -45.34 94.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.101 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.799 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.613 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 166.81 58.2 0.03 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.613 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 36.8 m -156.65 -129.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.55 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 45.79 1.04 Allowed Glycine 0 C--N 1.329 0.184 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.988 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.33 165.68 15.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.2 0.524 . . . . 0.0 110.298 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.3 OUTLIER -62.97 6.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.824 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.766 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -46.16 88.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 16' ' ' DBU . 62.0 mt 73.33 38.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 0.0 110.162 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.704 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER 66.73 165.79 0.21 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.632 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.704 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 96.4 t -109.24 95.05 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.595 ' NH1' ' O ' ' A' ' 9' ' ' MET . 37.2 ttm180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.632 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.41 19.57 78.02 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.66 -95.96 0.11 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.676 ' C ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.676 ' CG1' ' C ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER -165.18 -59.81 0.01 OUTLIER Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.691 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 5' ' ' ILE . 10.8 Cg_endo -53.12 -11.27 1.51 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.044 2.496 . . . . 0.0 112.132 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.843 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.986 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.6 mt -67.0 -35.49 80.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.479 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.583 ' HG2' ' HB ' ' A' ' 4' ' ' DBU . 60.2 mtp -61.78 -42.07 98.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.15 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.843 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.508 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 171.47 57.88 0.04 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 63.3 m -154.66 -126.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 0.0 110.536 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.75 47.11 0.91 Allowed Glycine 0 C--N 1.332 0.351 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.986 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.3 164.33 20.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.115 -0.543 . . . . 0.0 110.084 179.318 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.781 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.3 OUTLIER -62.9 7.17 0.08 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 179.8 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.781 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -51.02 98.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 35.0 tp 69.41 32.65 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 109.839 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER 67.48 140.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.504 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.594 ' CG2' ' CG ' ' A' ' 16' ' ' DBU . 75.4 t -63.33 -45.13 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.788 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.513 ' OXT' ' HA ' ' A' ' 10' ' ' DBB . 59.7 ttt85 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.603 ' CA ' HD11 ' A' ' 8' ' ' LEU . . . -160.03 105.54 0.27 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.26 19.11 0.82 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.625 ' C ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.625 ' CG1' ' C ' ' A' ' 4' ' ' DBU . 0.0 OUTLIER -163.51 -54.55 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.538 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.556 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 49.6 Cg_exo -54.33 -30.03 60.72 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 111.901 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.814 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 8' ' ' LEU . 3.4 mt -71.16 -41.94 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.983 0.421 . . . . 0.0 110.197 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.624 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.3 OUTLIER -66.78 -40.87 88.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.258 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.814 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.58 44.05 1.38 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 60.9 m -148.81 -130.06 0.05 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.88 0.371 . . . . 0.0 110.702 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.1 47.12 0.99 Allowed Glycine 0 C--N 1.333 0.396 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.688 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.74 163.17 26.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 110.688 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.5 OUTLIER -62.35 8.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.79 179.421 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.559 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -51.6 94.37 0.01 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 90.4 mt 72.63 22.18 3.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.777 0.323 . . . . 0.0 110.408 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 66.91 161.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.645 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t -124.82 131.78 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.627 179.928 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.27 22.96 0.15 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.558 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . 178.47 -135.58 2.68 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.803 ' H2 ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 36.8 mm -49.25 -40.39 46.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.803 ' HD2' ' H2 ' ' A' ' 4' ' ' DBU . 51.1 Cg_exo -51.47 -32.48 43.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.344 2.029 . . . . 0.0 111.62 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.801 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.9 mt -73.35 -41.07 63.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.637 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.2 OUTLIER -63.12 -48.04 80.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.801 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.35 6.02 25.9 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.9 m -111.32 -123.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.23 51.83 0.6 Allowed Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.63 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.95 157.31 28.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.684 -0.758 . . . . 0.0 110.511 179.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.943 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -46.2 -9.15 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.733 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.671 ' N ' HD22 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.26 -50.61 61.39 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.3 mt -117.71 -16.71 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.28 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 161.11 -54.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.598 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.2 t 56.76 131.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.743 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.507 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.427 ' H3 ' HD13 ' A' ' 8' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.17 -34.01 8.44 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.38 -108.18 0.13 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.67 ' C ' ' HD2' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.703 ' H ' HD12 ' A' ' 5' ' ' ILE . 3.4 mp -53.75 -41.78 89.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.573 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.67 ' HD2' ' C ' ' A' ' 4' ' ' DBU . 77.8 Cg_exo -44.3 -17.24 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.354 . . . . 0.0 112.139 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.737 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.022 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 2.6 mt -68.05 -36.31 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.597 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 4' ' ' DBU . 3.2 mtp -60.11 -42.12 94.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.737 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 163.71 57.02 0.02 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 82.1 m -153.4 -126.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.634 0.73 . . . . 0.0 109.921 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.16 45.6 1.02 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 1.022 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.15 170.08 4.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.729 0.3 . . . . 0.0 110.621 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.6 OUTLIER -61.59 4.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.522 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.603 ' N ' HD23 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.94 -41.52 94.33 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 94.3 mt -121.53 34.68 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.583 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 72.1 -60.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 -179.431 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.674 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 3.8 t 80.14 119.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.559 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.65 -171.62 41.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.475 ' H ' HD12 ' A' ' 8' ' ' LEU . . . -62.84 -38.93 97.34 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.585 ' HB ' ' HE2' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.57 ' CB ' ' O ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER 156.15 -49.73 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.06 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 48.8 Cg_exo -53.53 -37.42 82.67 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.794 2.33 . . . . 0.0 111.97 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 1.196 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.196 HD23 ' C ' ' A' ' 7' ' ' DAL . 0.4 OUTLIER -112.12 -35.0 5.78 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.932 -179.733 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.585 ' HE2' ' HB ' ' A' ' 4' ' ' DBU . 0.3 OUTLIER -66.02 -41.32 91.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.214 0.53 . . . . 0.0 109.635 178.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.93 -30.09 6.78 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 9.0 p -66.62 -119.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 0.0 110.073 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -154.71 44.68 0.56 Allowed Glycine 0 CA--C 1.506 -0.501 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 1.042 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -56.91 153.99 10.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.701 -0.75 . . . . 0.0 110.182 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.812 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.5 pt? -45.21 -11.08 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.232 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -54.19 91.53 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 mp 74.3 20.77 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.407 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.69 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER 68.63 163.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.69 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 52.0 t -121.21 131.06 73.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.593 -179.835 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.0 -4.8 68.24 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 5' ' ' ILE . . . -149.61 111.55 0.52 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.818 ' HG1' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.646 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.3 mt -52.84 -41.89 87.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.799 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 50.8 Cg_exo -50.42 -38.02 52.42 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.67 2.247 . . . . 0.0 111.969 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.902 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.954 HD22 ' CZ2' ' A' ' 14' ' ' TRP . 1.7 mt -101.33 -27.01 13.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.467 ' HB3' ' N ' ' A' ' 4' ' ' DBU . 20.1 ptm -78.43 -38.31 41.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.119 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.46 ' N ' ' CG ' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.637 ' O ' ' SG ' ' A' ' 12' ' ' CYS . . . 154.07 64.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 4.6 m -160.81 -48.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.999 0.428 . . . . 0.0 110.734 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.27 50.06 0.11 Allowed Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.954 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -66.17 164.95 14.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.838 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.603 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? -45.18 -12.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.414 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.699 ' HG1' HG21 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.86 -43.64 97.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.838 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.8 tt -127.8 -20.71 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.713 0.292 . . . . 0.0 110.604 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.745 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER 158.54 -60.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.461 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.699 HG21 ' HG1' ' A' ' 16' ' ' DBU . 18.2 t 70.77 -112.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.636 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' CE3' ' A' ' 14' ' ' TRP . 95.3 mtt180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.406 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.486 ' HA3' ' HD3' ' A' ' 6' ' ' PRO . . . -63.1 -41.2 99.82 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.702 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . 64.1 34.58 90.3 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.702 ' HG2' ' O ' ' A' ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.571 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.3 OUTLIER -170.99 -54.19 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.475 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.527 ' N ' HG22 ' A' ' 5' ' ' ILE . 48.6 Cg_exo -52.44 -40.12 72.25 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.908 2.405 . . . . 0.0 112.485 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.689 ' C ' HD22 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.708 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 1.1 mm? -95.16 -51.54 4.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.167 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.571 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -63.62 -41.68 98.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.705 179.36 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.68 ' HG3' ' C ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' H ' ' HB2' ' A' ' 19' ' ' CYS . . . 97.81 38.53 4.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 30.8 p -138.09 -14.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.605 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.38 36.3 12.74 Favored Glycine 0 CA--C 1.511 -0.214 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.666 ' CH2' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.54 161.97 6.96 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.435 0.636 . . . . 0.0 110.389 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.739 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? -50.29 -9.06 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.07 179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.517 ' CB ' ' HA ' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -66.75 85.25 0.11 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.989 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.2 tt 78.81 -1.19 2.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.242 -179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.63 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.07 -56.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.63 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.2 p 177.89 -16.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.702 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.592 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.506 ' HA3' ' HD3' ' A' ' 6' ' ' PRO . . . -65.03 -42.47 96.7 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.741 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . 68.6 33.84 77.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.66 ' HG2' ' O ' ' A' ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.589 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -167.89 -53.53 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.355 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.546 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 43.4 Cg_exo -55.33 -27.4 57.53 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.937 2.424 . . . . 0.0 111.764 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.754 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.1 mt -69.81 -42.11 74.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 109.647 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.6 ' HG2' ' C ' ' A' ' 4' ' ' DBU . 0.1 OUTLIER -64.63 -43.94 92.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.646 179.415 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.754 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' H ' ' HB2' ' A' ' 19' ' ' CYS . . . 106.27 47.53 1.06 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 59.4 m -151.61 -124.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.501 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 50.67 0.68 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.72 ' CE2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.01 162.68 26.33 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.31 179.53 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.764 HD23 ' N ' ' A' ' 16' ' ' DBU . 0.9 OUTLIER -46.9 -10.65 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.537 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 1.109 ' HG1' HG23 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.661 ' C ' HD23 ' A' ' 18' ' ' LEU . . . -63.9 -42.84 98.22 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.661 HD23 ' C ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -135.25 -12.34 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.425 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.698 ' O ' ' HG1' ' A' ' 10' ' ' DBB . 0.0 OUTLIER 158.26 -13.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.39 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.109 HG23 ' HG1' ' A' ' 16' ' ' DBU . 0.3 OUTLIER 95.68 -32.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 123.628 0.58 . . . . 0.0 110.613 -179.6 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.62 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.793 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.78 -38.24 95.87 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.662 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . -63.63 -40.36 98.54 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.793 ' HG2' ' O ' ' A' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.553 ' N ' ' O ' ' A' ' 3' ' ' GLY . 3.0 mt -157.45 -64.04 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.418 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.642 ' O ' ' CE2' ' A' ' 14' ' ' TRP . 33.3 Cg_endo -68.07 66.69 0.97 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.682 ' C ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.768 HD21 ' CZ2' ' A' ' 14' ' ' TRP . 1.3 mm? -93.82 -50.24 5.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.961 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.56 -41.46 96.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.443 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.682 ' HG3' ' C ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.45 71.89 1.29 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.8 p -162.13 -20.77 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.536 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.55 37.17 7.08 Favored Glycine 0 CA--C 1.509 -0.307 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.768 ' CZ2' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.58 160.36 16.84 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.615 -0.793 . . . . 0.0 110.48 179.352 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.6 pt? -44.85 -12.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.078 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.2 -39.64 97.94 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 34.8 tp -120.85 15.46 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 0.0 109.88 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 76.69 -39.92 0.36 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.305 -179.654 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' H ' ' C ' ' A' ' 18' ' ' LEU . 4.9 t 62.02 114.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.474 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.531 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.02 8.19 82.61 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.98 96.25 0.37 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.523 ' O ' HG12 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.553 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -162.9 -55.89 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.447 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' N ' HG22 ' A' ' 5' ' ' ILE . 46.6 Cg_exo -53.62 -38.18 83.95 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 1.222 ' C ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.222 HD23 ' C ' ' A' ' 7' ' ' DAL . 1.0 OUTLIER -114.56 -40.43 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.9 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.553 ' CE ' ' HA ' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -66.34 -40.93 90.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.587 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.434 ' H ' ' HB2' ' A' ' 19' ' ' CYS . . . 102.21 8.52 44.11 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -103.0 -85.24 0.45 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.722 0.773 . . . . 0.0 110.446 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.24 43.5 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 1.063 ' CZ2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -64.49 165.14 10.37 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.554 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.702 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -56.85 -4.57 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.914 179.446 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.63 ' CG ' HG23 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -61.57 99.25 0.21 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 49.3 tp 66.66 -1.26 1.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 109.955 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.68 ' SG ' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER 162.62 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.427 179.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.68 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER 179.9 -17.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.854 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.546 -179.952 . . . . . . . . 0 0 . 1 stop_ save_