data_2atg_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2atg _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.461 HD13 HG21 ' A' ' 7' ' ' ILE . 28.1 mm . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 82.8 m -150.77 145.61 25.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.616 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.22 -148.82 4.9 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -81.65 50.78 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.896 0.379 . . . . 0.0 111.879 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.94 -57.01 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.497 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.401 HG21 ' N ' ' A' ' 13' ' ' CYS . 46.4 mm -88.84 140.51 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 44.4 t -160.66 120.0 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.073 0.464 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.83 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 5.3 pt . . . . . 0 N--CA 1.442 -0.867 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 72.9 m -144.8 144.37 31.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.23 -146.29 4.39 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.785 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -80.28 49.42 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.15 -55.47 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.828 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 47.0 mm -88.95 141.89 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.435 ' N ' HG21 ' A' ' 12' ' ' ILE . 30.7 t -161.32 116.45 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.063 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.616 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.457 HG23 HD13 ' A' ' 7' ' ' ILE . 64.6 mt . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 43.4 t -150.04 142.84 24.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.99 -152.83 7.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -82.35 52.57 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.7 0.286 . . . . 0.0 111.645 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.2 -55.7 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.169 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tp -111.41 135.67 49.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 111.401 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 99.9 m -152.08 110.83 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.477 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.127 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.4 mm . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -151.99 147.67 26.81 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.253 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.75 -147.68 4.89 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.073 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -79.21 49.12 0.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.9 -54.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.642 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 tp -89.04 145.22 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.647 0.26 . . . . 0.0 110.43 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 t -162.95 98.78 0.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.501 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 45.3 t -163.41 137.75 6.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.931 0.396 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.25 -145.09 4.07 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.826 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 16.1 mmp_? -92.1 49.65 1.55 Allowed 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.611 -0.346 . . . . 0.0 111.499 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.33 -54.18 0.32 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.435 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -100.68 129.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.1 m -152.15 126.03 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.402 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.068 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.456 HD11 HG21 ' A' ' 7' ' ' ILE . 8.9 tt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.094 0.473 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 88.1 m -147.7 143.66 27.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.321 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.45 -143.41 3.7 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.225 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -85.2 51.34 2.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.26 -56.76 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.325 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -89.13 138.87 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 40.3 t -158.89 113.32 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.644 -179.611 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mt . . . . . 0 C--O 1.233 0.218 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.3 m -149.82 145.17 26.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.07 -146.1 4.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.395 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -81.59 50.86 1.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.09 -56.53 0.41 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.468 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.81 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.5 t -158.61 117.5 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.319 0.58 . . . . 0.0 110.247 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.483 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.4 m -148.42 146.4 28.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.6 -146.25 4.32 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.221 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -85.07 52.02 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.977 0.418 . . . . 0.0 111.555 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.69 -56.21 0.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.218 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.437 HD13 HG22 ' A' ' 12' ' ' ILE . 12.3 tt -89.04 143.97 10.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.809 0.337 . . . . 0.0 110.388 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 t -160.98 121.5 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.4 ptt85 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.885 -179.85 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 8' ' ' CYS . 39.5 mm . . . . . 0 N--CA 1.459 0.011 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' N ' HG22 ' A' ' 7' ' ' ILE . 43.5 t -157.34 142.87 17.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.11 -134.9 1.73 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.198 -1.001 . . . . 0.0 113.502 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.95 49.05 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.36 -40.89 1.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.347 -0.93 . . . . 0.0 113.292 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.5 mt -88.8 121.29 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 7' ' ' ILE . 81.4 m -150.06 127.45 11.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.433 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.743 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 tp . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 33.9 t -164.14 142.49 7.27 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.78 -148.26 5.3 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.991 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -83.76 50.1 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.895 0.379 . . . . 0.0 111.536 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.36 -52.75 0.42 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.315 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.8 tt -99.72 126.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 98.5 m -151.07 121.15 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.902 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.815 179.115 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 22.6 t -156.3 141.26 17.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.71 -144.5 4.05 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.461 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.25 50.37 1.74 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.63 -56.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.567 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 54.1 mt -89.79 137.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.3 t -161.08 106.53 1.38 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.979 0.418 . . . . 0.0 110.226 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.594 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 10.2 tt . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 49.5 t -156.94 143.44 18.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.008 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.51 -146.94 4.5 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.716 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -89.99 51.83 2.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 122.537 -0.39 . . . . 0.0 111.196 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.72 -53.08 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.874 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.39 129.5 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.748 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 76.3 m -150.97 112.74 4.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.91 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.942 -179.568 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 26.9 t -164.66 143.92 7.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.241 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.97 -146.93 5.05 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.323 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -80.18 49.43 1.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.59 -55.66 0.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.514 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 56.7 mt -89.51 139.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 4.6 t -160.76 87.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.501 0.667 . . . . 0.0 110.306 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.4 ttp-105 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.246 179.589 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -154.87 140.16 17.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.371 -0.377 . . . . 0.0 109.993 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.443 ' C ' ' HD2' ' A' ' 10' ' ' ARG . . . -138.63 -127.35 2.49 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.865 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HD2' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -121.5 49.72 1.49 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.255 0.55 . . . . 0.0 110.082 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 166.66 -47.51 0.26 Allowed Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.389 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mm -113.16 131.45 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.0 m -152.9 128.79 10.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.114 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.814 -179.641 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 mt . . . . . 0 CA--C 1.516 -0.357 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 76.8 m -149.88 145.46 26.55 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.475 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.64 -140.9 3.23 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.176 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -84.18 51.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.12 -51.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.639 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 46.2 mm -88.56 140.89 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 t -161.22 121.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.047 -179.22 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.403 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 43.4 mt . . . . . 0 C--O 1.236 0.371 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -144.92 145.92 31.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.48 -146.06 4.32 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.049 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -84.03 51.08 1.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.0 -57.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.454 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 12' ' ' ILE . 4.5 mp -89.06 136.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -156.82 122.01 4.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.226 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.815 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 20.0 t -161.46 145.14 12.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.688 0.28 . . . . 0.0 110.419 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.15 -146.79 4.96 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.994 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.81 50.2 1.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.18 -55.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.556 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.7 mp -89.36 139.49 17.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.446 ' N ' HG22 ' A' ' 12' ' ' ILE . 4.3 t -161.96 90.66 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.062 0.458 . . . . 0.0 109.817 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.525 -179.579 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 8' ' ' CYS . 33.8 mm . . . . . 0 C--O 1.231 0.087 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.497 ' N ' HG22 ' A' ' 7' ' ' ILE . 39.2 t -158.26 141.17 14.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.65 -147.14 4.63 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.31 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -82.97 49.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.87 -52.33 0.48 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.199 -1.001 . . . . 0.0 113.287 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -97.39 127.78 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 m -151.31 125.96 9.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.597 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.932 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--O 1.232 0.179 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.5 m -149.72 150.1 31.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.144 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.11 -148.66 4.82 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.952 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -82.28 48.72 1.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.6 -56.26 0.32 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.34 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -89.82 150.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -163.75 125.53 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.45 HD13 HG22 ' A' ' 7' ' ' ILE . 23.2 mm . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.5 m -152.27 150.83 30.2 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.94 4.23 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.842 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -85.21 50.92 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.66 -52.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.096 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 13' ' ' CYS . 47.5 mm -88.66 141.55 14.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.404 ' N ' HG23 ' A' ' 12' ' ' ILE . 17.6 t -160.07 111.56 1.97 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.296 0.57 . . . . 0.0 110.043 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.55 -179.755 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 N--CA 1.47 0.529 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -173.47 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.817 0.342 . . . . 0.0 110.62 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 tt -88.16 130.63 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.022 0.439 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.548 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 82.7 m -140.27 122.02 15.38 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.622 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 5.4 mmp_? -135.58 52.09 2.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.573 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 56.8 m -77.15 126.4 30.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.949 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.461 HD13 HG21 ' A' ' 7' ' ' ILE . 28.1 mm -128.31 132.05 68.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 82.8 m -150.77 145.61 25.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.616 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.22 -148.82 4.9 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -81.65 50.78 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.896 0.379 . . . . 0.0 111.879 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.94 -57.01 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.497 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.401 HG21 ' N ' ' A' ' 13' ' ' CYS . 46.4 mm -88.84 140.51 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 44.4 t -160.66 120.0 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.073 0.464 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -151.32 119.49 6.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.83 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 4.3 t -99.36 121.52 41.22 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.397 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 34.0 mm -120.63 69.26 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.548 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 46.7 t -123.88 126.69 46.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.304 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.927 -179.609 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -171.91 -36.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.942 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mm -88.49 128.07 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.35 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 71.6 m -139.83 108.19 5.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.248 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -139.19 137.46 36.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.352 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -119.28 126.79 52.31 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 120.979 0.419 . . . . 0.0 110.287 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 5.3 pt -107.26 113.35 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.625 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 72.9 m -144.8 144.37 31.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.23 -146.29 4.39 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.785 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -80.28 49.42 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.15 -55.47 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.828 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 47.0 mm -88.95 141.89 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.435 ' N ' HG21 ' A' ' 12' ' ' ILE . 30.7 t -161.32 116.45 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.063 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -152.47 125.17 8.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.25 129.47 39.31 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.3 mm -122.28 103.18 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 37.2 t -142.09 129.03 20.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.592 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.764 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.862 -179.694 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -176.96 -45.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.735 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 4' ' ' CYS . 70.1 mt -144.32 141.19 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.226 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.427 ' N ' HG22 ' A' ' 3' ' ' ILE . 72.1 m -64.38 138.42 58.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -136.24 44.93 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.43 0.634 . . . . 0.0 110.704 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -76.9 131.33 38.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.339 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.457 HG23 HD13 ' A' ' 7' ' ' ILE . 64.6 mt -139.61 144.09 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.69 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 43.4 t -150.04 142.84 24.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.99 -152.83 7.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -82.35 52.57 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.7 0.286 . . . . 0.0 111.645 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.2 -55.7 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.169 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tp -111.41 135.67 49.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 111.401 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 99.9 m -152.08 110.83 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.477 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.24 135.57 15.91 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.127 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.1 t -105.95 125.43 50.98 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.8 mm -138.67 130.56 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.3 t -162.71 158.01 22.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.373 0 C-N-CA 120.3 -0.952 . . . . 0.0 113.029 179.235 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 18' ' ' GLY . 26.6 mmt180 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.101 0.477 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -156.1 -51.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 pt -143.03 144.23 24.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.097 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.5 m -108.92 141.16 41.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.053 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -137.45 114.23 10.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.026 0.441 . . . . 0.0 110.29 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.8 m -98.25 126.68 43.83 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.258 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.4 mm -112.92 124.82 69.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -151.99 147.67 26.81 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.253 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.75 -147.68 4.89 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.073 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -79.21 49.12 0.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.9 -54.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.642 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 tp -89.04 145.22 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.647 0.26 . . . . 0.0 110.43 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 t -162.95 98.78 0.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 127.06 9.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.501 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 13.6 t -92.11 145.89 24.15 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.051 0.453 . . . . 0.0 111.158 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.4 mt -128.56 138.49 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.309 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.4 t -159.84 138.92 10.91 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.43 0.633 . . . . 0.0 111.923 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.467 ' O ' ' HD3' ' A' ' 1' ' ' ARG . . . . . . . . 0 N--CA 1.443 -0.857 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.663 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.535 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 4.6 mmp_? -138.25 -30.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.7 mt -87.46 131.97 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 7.2 t -150.53 105.45 3.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.244 0.545 . . . . 0.0 110.051 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -138.49 129.74 27.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.837 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.2 t -146.47 129.85 16.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.247 0.546 . . . . 0.0 110.33 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt -152.42 147.67 14.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.084 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 45.3 t -163.41 137.75 6.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.931 0.396 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.25 -145.09 4.07 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.826 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 16.1 mmp_? -92.1 49.65 1.55 Allowed 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.611 -0.346 . . . . 0.0 111.499 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.33 -54.18 0.32 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.435 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -100.68 129.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.1 m -152.15 126.03 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.402 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -152.06 136.85 17.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.068 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.7 t -141.96 117.75 10.46 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 120.738 0.304 . . . . 0.0 110.324 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mm -142.25 129.09 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 34.7 t -156.82 128.32 7.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.621 0.248 . . . . 0.0 110.357 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.784 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.072 -179.631 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.571 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 4.3 mmp_? -158.56 -45.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 tp -150.24 152.75 11.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.437 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.6 m -62.64 140.67 58.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.9 tpt85 -135.56 41.92 2.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.694 0.759 . . . . 0.0 109.982 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -68.24 139.71 56.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.501 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.456 HD11 HG21 ' A' ' 7' ' ' ILE . 8.9 tt -147.63 136.58 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.473 . . . . 0.0 110.728 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 88.1 m -147.7 143.66 27.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.321 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.45 -143.41 3.7 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.225 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -85.2 51.34 2.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.26 -56.76 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.325 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -89.13 138.87 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 40.3 t -158.89 113.32 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -152.5 135.88 15.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.644 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.1 t -108.23 126.11 52.43 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.9 mt -135.85 134.84 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 t -162.03 141.69 9.86 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.215 0 C-N-CA 120.082 -1.056 . . . . 0.0 113.589 179.491 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -76.66 -42.76 40.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.12 0.486 . . . . 0.0 110.559 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.12 133.4 56.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.574 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.72 118.83 9.43 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -137.49 49.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.494 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 65.3 m -85.47 131.25 34.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.826 0.346 . . . . 0.0 110.825 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mt -143.46 133.67 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.576 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.3 m -149.82 145.17 26.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.07 -146.1 4.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.395 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -81.59 50.86 1.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.09 -56.53 0.41 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.468 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.81 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.5 t -158.61 117.5 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.319 0.58 . . . . 0.0 110.247 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -151.93 131.36 12.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.483 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 35.1 t -124.85 126.68 45.96 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 120.93 0.395 . . . . 0.0 110.961 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.5 mm -137.28 118.25 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 t -152.8 139.52 18.89 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.048 0.451 . . . . 0.0 111.137 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -88.31 19.73 3.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.0 mt -147.92 126.31 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.512 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.8 m -140.35 123.08 16.35 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.699 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -136.0 123.64 22.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.4 m -144.41 133.18 22.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.636 0.255 . . . . 0.0 110.4 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mt -145.32 134.15 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.4 m -148.42 146.4 28.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.6 -146.25 4.32 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.221 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -85.07 52.02 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.977 0.418 . . . . 0.0 111.555 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.69 -56.21 0.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.218 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.437 HD13 HG22 ' A' ' 12' ' ' ILE . 12.3 tt -89.04 143.97 10.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.809 0.337 . . . . 0.0 110.388 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 t -160.98 121.5 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.4 ptt85 -151.93 135.35 16.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.885 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.2 t -136.94 124.21 21.85 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.198 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.9 mt -132.27 97.55 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.2 t -138.02 132.87 32.85 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.523 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.399 0 C-N-CA 119.42 -1.372 . . . . 0.0 113.359 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 121.442 0.639 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 51.1 ttm-85 -169.83 -53.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.501 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.479 HG23 HD13 ' A' ' 3' ' ' ILE . 47.2 mm -127.88 125.38 64.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.326 178.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.6 m -110.02 138.67 46.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.46 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -136.67 111.03 8.47 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.8 m -137.9 132.75 32.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.885 0.374 . . . . 0.0 110.56 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 8' ' ' CYS . 39.5 mm -134.34 146.23 31.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' N ' HG22 ' A' ' 7' ' ' ILE . 43.5 t -157.34 142.87 17.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.11 -134.9 1.73 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.198 -1.001 . . . . 0.0 113.502 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.95 49.05 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.36 -40.89 1.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.347 -0.93 . . . . 0.0 113.292 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.5 mt -88.8 121.29 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 7' ' ' ILE . 81.4 m -150.06 127.45 11.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.433 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -151.55 137.07 17.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.743 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -130.46 123.06 28.89 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 17' ' ' CYS . 31.0 mm -142.27 144.2 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.23 -178.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.563 ' N ' HG23 ' A' ' 16' ' ' ILE . 49.1 t -159.52 132.48 6.88 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.643 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.236 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.759 -179.282 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -68.87 -44.74 72.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.063 0.458 . . . . 0.0 110.522 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.2 mt -138.69 130.65 37.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 77.8 m -142.45 125.76 16.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.176 0.512 . . . . 0.0 111.05 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -138.23 132.78 32.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.319 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.4 t -146.05 135.94 23.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.112 0.482 . . . . 0.0 110.612 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 tp -152.05 145.17 15.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.079 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 33.9 t -164.14 142.49 7.27 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.78 -148.26 5.3 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.991 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -83.76 50.1 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.895 0.379 . . . . 0.0 111.536 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.36 -52.75 0.42 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.315 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.8 tt -99.72 126.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 98.5 m -151.07 121.15 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.902 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -151.6 141.98 22.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.815 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -143.21 124.64 14.74 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 120.85 0.357 . . . . 0.0 110.685 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.8 mt -140.42 135.46 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 42.0 t -159.81 135.18 8.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.74 0.305 . . . . 0.0 110.536 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 C-N-CA 121.043 -0.599 . . . . 0.0 111.7 -179.785 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -171.7 -34.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.311 . . . . 0.0 110.785 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 64.1 mt -87.85 133.85 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.208 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 10.8 t -145.17 94.05 2.47 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -138.91 130.5 27.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.684 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.4 m -145.16 131.33 19.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.869 0.366 . . . . 0.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -141.3 141.65 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 22.6 t -156.3 141.26 17.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.71 -144.5 4.05 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.461 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.25 50.37 1.74 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.63 -56.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.567 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 54.1 mt -89.79 137.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.3 t -161.08 106.53 1.38 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.979 0.418 . . . . 0.0 110.226 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -150.28 144.55 25.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.594 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.8 t -141.26 123.18 15.41 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.9 mm -138.81 117.93 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 47.9 t -149.67 120.93 7.82 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.713 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.329 -179.42 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -171.79 -31.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 50.2 mm -87.95 139.62 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 7.0 t -148.85 82.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.337 0.589 . . . . 0.0 110.041 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -138.06 125.04 21.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.734 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 82.7 m -94.65 131.83 40.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.754 0.311 . . . . 0.0 110.241 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 10.2 tt -115.62 141.09 34.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 49.5 t -156.94 143.44 18.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.008 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.51 -146.94 4.5 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.716 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -89.99 51.83 2.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 122.537 -0.39 . . . . 0.0 111.196 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.72 -53.08 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.874 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.39 129.5 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.748 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 76.3 m -150.97 112.74 4.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.91 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -153.03 140.37 19.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.942 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 7.6 m -86.73 124.61 33.18 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.35 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.1 mt -103.36 80.16 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 24.6 t -129.13 123.6 32.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.75 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.767 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.362 -179.63 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -179.36 -31.12 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.792 0.329 . . . . 0.0 110.603 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.6 mt -87.96 124.69 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.103 0.477 . . . . 0.0 111.289 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.0 m -108.88 138.68 44.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.977 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -135.67 106.65 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.597 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 80.7 m -85.55 129.43 34.82 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.755 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm -112.41 135.48 51.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 26.9 t -164.66 143.92 7.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.241 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.97 -146.93 5.05 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.323 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -80.18 49.43 1.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.59 -55.66 0.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.514 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 56.7 mt -89.51 139.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 4.6 t -160.76 87.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.501 0.667 . . . . 0.0 110.306 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.4 ttp-105 -152.03 129.91 11.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.246 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.597 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 13.1 t -82.87 145.88 29.2 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.948 0.404 . . . . 0.0 110.947 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.2 mt -122.36 149.38 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -165.92 144.25 5.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 120.927 0.394 . . . . 0.0 110.998 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.918 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.042 -179.439 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -157.6 -32.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.482 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 mt -88.84 120.24 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 74.2 m -142.23 123.53 14.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.543 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 3.0 tpm_? -138.5 117.33 12.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.408 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -135.39 140.09 44.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.344 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 tp -151.4 148.07 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.722 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -154.87 140.16 17.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.371 -0.377 . . . . 0.0 109.993 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' C ' ' HD2' ' A' ' 10' ' ' ARG . . . -138.63 -127.35 2.49 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.865 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HD2' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -121.5 49.72 1.49 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.255 0.55 . . . . 0.0 110.082 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 166.66 -47.51 0.26 Allowed Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.389 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mm -113.16 131.45 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.0 m -152.9 128.79 10.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.114 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -151.61 148.16 27.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.814 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -140.62 128.51 21.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.938 0.399 . . . . 0.0 110.438 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 17' ' ' CYS . 33.4 mm -138.02 137.03 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 29.1 t -160.28 145.74 15.04 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.637 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.326 -179.092 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.8 mtp85 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.326 0.108 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -101.49 -24.07 14.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.446 HG23 ' O ' ' A' ' 18' ' ' GLY . 9.3 tp -88.06 139.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 110.733 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 37.1 t -158.39 103.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.957 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -138.23 130.59 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.738 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.9 m -133.02 131.4 40.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.893 0.378 . . . . 0.0 110.417 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 mt -117.9 126.79 75.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 76.8 m -149.88 145.46 26.55 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.475 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.64 -140.9 3.23 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.176 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -84.18 51.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.12 -51.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.639 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 46.2 mm -88.56 140.89 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 t -161.22 121.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -152.54 126.31 8.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.047 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.05 133.45 45.54 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.15 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.4 mt -130.58 84.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 73.0 m -130.97 136.05 48.19 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.502 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.959 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 112.719 0.636 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.416 ' O ' ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -173.77 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.873 0.368 . . . . 0.0 110.212 -179.667 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.5 mt -88.64 128.1 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.955 0.407 . . . . 0.0 110.749 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 90.7 m -140.79 113.33 8.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.172 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -139.03 127.64 23.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.4 m -145.8 128.42 16.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.82 0.343 . . . . 0.0 110.354 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.403 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 43.4 mt -148.12 135.44 13.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -144.92 145.92 31.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.48 -146.06 4.32 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.049 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -84.03 51.08 1.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.0 -57.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.454 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 12' ' ' ILE . 4.5 mp -89.06 136.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -156.82 122.01 4.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.226 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -151.98 141.29 21.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.815 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.4 t -141.21 120.51 13.06 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.003 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -134.71 125.45 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 42.0 t -153.91 125.86 7.78 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.659 -179.462 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.4 tpp85 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -166.25 -32.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.659 0.266 . . . . 0.0 111.187 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 59.2 mt -86.92 137.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 6.8 t -147.13 89.75 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.171 0.51 . . . . 0.0 110.31 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -137.6 122.1 18.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.442 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 96.2 m -90.53 131.83 36.05 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.026 0.441 . . . . 0.0 110.999 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mm -116.73 134.99 58.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 20.0 t -161.46 145.14 12.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.688 0.28 . . . . 0.0 110.419 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.15 -146.79 4.96 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.994 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.81 50.2 1.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.18 -55.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.556 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.7 mp -89.36 139.49 17.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.446 ' N ' HG22 ' A' ' 12' ' ' ILE . 4.3 t -161.96 90.66 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.062 0.458 . . . . 0.0 109.817 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -150.41 134.55 16.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.525 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 34.1 m -84.32 126.44 33.2 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.6 mm -97.15 77.58 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 15.4 t -127.81 123.59 35.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.776 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.604 -179.671 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.6 mtm-85 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -73.28 -27.95 61.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.25 133.29 31.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.906 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 9.0 t -166.84 91.51 0.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.371 0.605 . . . . 0.0 110.091 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -139.04 129.11 25.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -142.44 131.28 22.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.982 0.42 . . . . 0.0 110.356 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 8' ' ' CYS . 33.8 mm -137.01 144.87 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.048 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' N ' HG22 ' A' ' 7' ' ' ILE . 39.2 t -158.26 141.17 14.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.65 -147.14 4.63 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.31 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -82.97 49.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.87 -52.33 0.48 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.199 -1.001 . . . . 0.0 113.287 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -97.39 127.78 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 m -151.31 125.96 9.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.597 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -150.13 141.23 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.932 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 t -141.52 122.33 14.41 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 120.741 0.305 . . . . 0.0 110.224 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.5 mt -140.03 121.6 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 49.1 t -151.37 132.56 14.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.367 0.603 . . . . 0.0 110.921 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.861 -179.651 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 . . . . . 0 CA--C 1.527 0.094 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -131.92 -43.7 0.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.353 . . . . 0.0 111.532 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 47.8 mm -88.16 139.23 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 6.1 t -159.25 87.07 0.83 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.677 0.751 . . . . 0.0 109.94 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -137.8 125.28 22.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.523 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -142.19 132.39 24.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.803 0.335 . . . . 0.0 110.53 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 mt -140.66 132.15 29.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.5 m -149.72 150.1 31.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.144 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.11 -148.66 4.82 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.952 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -82.28 48.72 1.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.6 -56.26 0.32 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.34 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -89.82 150.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -163.75 125.53 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -151.06 130.34 12.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.5 t -135.45 123.26 22.47 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.5 mm -134.43 105.71 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 39.5 t -142.43 146.87 35.29 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.835 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.927 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.933 -179.13 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.103 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -84.35 -48.75 9.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.285 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.3 mt -112.01 129.36 67.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.489 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.7 m -145.32 123.61 12.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.39 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -137.99 121.2 16.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 65.9 m -100.48 133.66 44.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.533 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.45 HD13 HG22 ' A' ' 7' ' ' ILE . 23.2 mm -126.48 122.89 62.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.5 m -152.27 150.83 30.2 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.94 4.23 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.842 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -85.21 50.92 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.66 -52.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.096 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 13' ' ' CYS . 47.5 mm -88.66 141.55 14.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' N ' HG23 ' A' ' 12' ' ' ILE . 17.6 t -160.07 111.56 1.97 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.296 0.57 . . . . 0.0 110.043 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -152.55 135.04 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.55 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 49.2 t -118.57 133.34 55.94 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.9 mt -103.77 109.84 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.4 t -145.56 128.9 16.84 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.578 179.589 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 82.8 m -150.77 145.61 25.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.616 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.22 -148.82 4.9 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -81.65 50.78 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.896 0.379 . . . . 0.0 111.879 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.94 -57.01 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.497 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.4 mm -88.84 140.51 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 44.4 t -160.66 120.0 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.073 0.464 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.83 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 5.3 pt . . . . . 0 N--CA 1.442 -0.867 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 72.9 m -144.8 144.37 31.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.23 -146.29 4.39 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.785 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -80.28 49.42 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.15 -55.47 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.828 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 47.0 mm -88.95 141.89 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 30.7 t -161.32 116.45 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.063 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.616 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 64.6 mt . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 43.4 t -150.04 142.84 24.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.99 -152.83 7.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -82.35 52.57 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.7 0.286 . . . . 0.0 111.645 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.2 -55.7 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.169 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tp -111.41 135.67 49.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 111.401 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 99.9 m -152.08 110.83 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.477 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.127 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.4 mm . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -151.99 147.67 26.81 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.253 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.75 -147.68 4.89 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.073 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -79.21 49.12 0.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.9 -54.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.642 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 tp -89.04 145.22 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.647 0.26 . . . . 0.0 110.43 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 t -162.95 98.78 0.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.501 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 45.3 t -163.41 137.75 6.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.931 0.396 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.25 -145.09 4.07 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.826 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 16.1 mmp_? -92.1 49.65 1.55 Allowed 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.611 -0.346 . . . . 0.0 111.499 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.33 -54.18 0.32 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.435 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -100.68 129.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.1 m -152.15 126.03 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.402 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.068 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 tt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.094 0.473 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 88.1 m -147.7 143.66 27.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.321 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.45 -143.41 3.7 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.225 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -85.2 51.34 2.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.26 -56.76 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.325 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -89.13 138.87 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 40.3 t -158.89 113.32 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.644 -179.611 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mt . . . . . 0 C--O 1.233 0.218 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 94.3 m -149.82 145.17 26.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.07 -146.1 4.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.395 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -81.59 50.86 1.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.09 -56.53 0.41 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.468 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.81 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 33.5 t -158.61 117.5 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.319 0.58 . . . . 0.0 110.247 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.483 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.4 m -148.42 146.4 28.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.6 -146.25 4.32 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.221 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -85.07 52.02 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.977 0.418 . . . . 0.0 111.555 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.69 -56.21 0.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.218 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 tt -89.04 143.97 10.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.809 0.337 . . . . 0.0 110.388 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 t -160.98 121.5 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.4 ptt85 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.885 -179.85 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 39.5 mm . . . . . 0 N--CA 1.459 0.011 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 43.5 t -157.34 142.87 17.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.11 -134.9 1.73 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.198 -1.001 . . . . 0.0 113.502 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.95 49.05 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.36 -40.89 1.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.347 -0.93 . . . . 0.0 113.292 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.5 mt -88.8 121.29 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.4 m -150.06 127.45 11.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.433 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.743 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 tp . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 33.9 t -164.14 142.49 7.27 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.78 -148.26 5.3 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.991 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -83.76 50.1 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.895 0.379 . . . . 0.0 111.536 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.36 -52.75 0.42 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.315 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.8 tt -99.72 126.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 98.5 m -151.07 121.15 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.902 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.815 179.115 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 22.6 t -156.3 141.26 17.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.71 -144.5 4.05 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.461 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.25 50.37 1.74 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.63 -56.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.567 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 54.1 mt -89.79 137.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.3 t -161.08 106.53 1.38 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.979 0.418 . . . . 0.0 110.226 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.594 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 10.2 tt . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 49.5 t -156.94 143.44 18.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.008 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.51 -146.94 4.5 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.716 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -89.99 51.83 2.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 122.537 -0.39 . . . . 0.0 111.196 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.72 -53.08 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.874 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.39 129.5 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.748 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 76.3 m -150.97 112.74 4.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.91 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.942 -179.568 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 26.9 t -164.66 143.92 7.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.241 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.97 -146.93 5.05 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.323 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -80.18 49.43 1.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.59 -55.66 0.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.514 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 56.7 mt -89.51 139.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 4.6 t -160.76 87.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.501 0.667 . . . . 0.0 110.306 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.4 ttp-105 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.246 179.589 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -154.87 140.16 17.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.371 -0.377 . . . . 0.0 109.993 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.45 ' C ' ' HD2' ' A' ' 10' ' ' ARG . . . -138.63 -127.35 2.49 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.865 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.45 ' HD2' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -121.5 49.72 1.49 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.255 0.55 . . . . 0.0 110.082 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 166.66 -47.51 0.26 Allowed Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.389 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mm -113.16 131.45 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.0 m -152.9 128.79 10.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.114 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.814 -179.641 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 mt . . . . . 0 CA--C 1.516 -0.357 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 76.8 m -149.88 145.46 26.55 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.475 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.64 -140.9 3.23 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.176 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -84.18 51.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.12 -51.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.639 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 46.2 mm -88.56 140.89 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 t -161.22 121.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.047 -179.22 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.414 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 43.4 mt . . . . . 0 C--O 1.236 0.371 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -144.92 145.92 31.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.48 -146.06 4.32 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.049 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -84.03 51.08 1.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.0 -57.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.454 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' ILE . 4.5 mp -89.06 136.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -156.82 122.01 4.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.226 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.815 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 20.0 t -161.46 145.14 12.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.688 0.28 . . . . 0.0 110.419 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.15 -146.79 4.96 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.994 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.81 50.2 1.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.18 -55.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.556 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.7 mp -89.36 139.49 17.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 t -161.96 90.66 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.062 0.458 . . . . 0.0 109.817 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.525 -179.579 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.8 mm . . . . . 0 C--O 1.231 0.087 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 39.2 t -158.26 141.17 14.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.65 -147.14 4.63 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.31 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -82.97 49.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.87 -52.33 0.48 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.199 -1.001 . . . . 0.0 113.287 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -97.39 127.78 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 m -151.31 125.96 9.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.597 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.932 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--O 1.232 0.179 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.5 m -149.72 150.1 31.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.144 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.11 -148.66 4.82 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.952 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -82.28 48.72 1.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.6 -56.26 0.32 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.34 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -89.82 150.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -163.75 125.53 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.5 m -152.27 150.83 30.2 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.94 4.23 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.842 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -85.21 50.92 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.66 -52.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.096 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.5 mm -88.66 141.55 14.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 t -160.07 111.56 1.97 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.296 0.57 . . . . 0.0 110.043 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.55 -179.755 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 N--CA 1.47 0.529 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -173.47 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.817 0.342 . . . . 0.0 110.62 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 tt -88.16 130.63 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.022 0.439 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 82.7 m -140.27 122.02 15.38 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.622 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 5.4 mmp_? -135.58 52.09 2.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.573 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 56.8 m -77.15 126.4 30.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.949 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.1 mm -128.31 132.05 68.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 82.8 m -150.77 145.61 25.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.616 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.22 -148.82 4.9 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -81.65 50.78 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.896 0.379 . . . . 0.0 111.879 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.94 -57.01 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.497 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.4 mm -88.84 140.51 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 44.4 t -160.66 120.0 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.073 0.464 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -151.32 119.49 6.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.83 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 4.3 t -99.36 121.52 41.22 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.397 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 34.0 mm -120.63 69.26 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 46.7 t -123.88 126.69 46.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.304 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.927 -179.609 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -171.91 -36.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.942 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mm -88.49 128.07 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.35 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 71.6 m -139.83 108.19 5.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.248 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -139.19 137.46 36.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.352 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -119.28 126.79 52.31 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 120.979 0.419 . . . . 0.0 110.287 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 5.3 pt -107.26 113.35 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.625 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 72.9 m -144.8 144.37 31.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.23 -146.29 4.39 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.785 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -80.28 49.42 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.15 -55.47 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.828 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 47.0 mm -88.95 141.89 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 30.7 t -161.32 116.45 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.063 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -152.47 125.17 8.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.25 129.47 39.31 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 49.3 mm -122.28 103.18 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 37.2 t -142.09 129.03 20.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.592 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.764 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.862 -179.694 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -176.96 -45.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.735 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.1 mt -144.32 141.19 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.38 138.42 58.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -136.24 44.93 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.43 0.634 . . . . 0.0 110.704 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -76.9 131.33 38.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.339 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 64.6 mt -139.61 144.09 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.69 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 43.4 t -150.04 142.84 24.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.99 -152.83 7.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -82.35 52.57 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.7 0.286 . . . . 0.0 111.645 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.2 -55.7 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.169 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tp -111.41 135.67 49.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 111.401 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 99.9 m -152.08 110.83 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.477 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.24 135.57 15.91 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.127 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.1 t -105.95 125.43 50.98 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.8 mm -138.67 130.56 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.3 t -162.71 158.01 22.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.373 0 C-N-CA 120.3 -0.952 . . . . 0.0 113.029 179.235 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.468 ' HD3' ' O ' ' A' ' 18' ' ' GLY . 26.6 mmt180 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.101 0.477 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -156.1 -51.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 pt -143.03 144.23 24.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.097 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.5 m -108.92 141.16 41.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.053 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -137.45 114.23 10.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.026 0.441 . . . . 0.0 110.29 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.8 m -98.25 126.68 43.83 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.258 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.4 mm -112.92 124.82 69.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -151.99 147.67 26.81 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.253 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.75 -147.68 4.89 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.073 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -79.21 49.12 0.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.9 -54.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.642 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 tp -89.04 145.22 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.647 0.26 . . . . 0.0 110.43 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 t -162.95 98.78 0.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 127.06 9.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.501 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 13.6 t -92.11 145.89 24.15 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.051 0.453 . . . . 0.0 111.158 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.4 mt -128.56 138.49 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.309 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.4 t -159.84 138.92 10.91 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.43 0.633 . . . . 0.0 111.923 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' O ' ' HD3' ' A' ' 1' ' ' ARG . . . . . . . . 0 N--CA 1.443 -0.857 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.663 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 4.6 mmp_? -138.25 -30.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.7 mt -87.46 131.97 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 7.2 t -150.53 105.45 3.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.244 0.545 . . . . 0.0 110.051 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -138.49 129.74 27.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.837 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.2 t -146.47 129.85 16.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.247 0.546 . . . . 0.0 110.33 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt -152.42 147.67 14.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.084 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 45.3 t -163.41 137.75 6.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.931 0.396 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.25 -145.09 4.07 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.826 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 16.1 mmp_? -92.1 49.65 1.55 Allowed 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.611 -0.346 . . . . 0.0 111.499 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.33 -54.18 0.32 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.435 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -100.68 129.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.1 m -152.15 126.03 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.402 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -152.06 136.85 17.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.068 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.7 t -141.96 117.75 10.46 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 120.738 0.304 . . . . 0.0 110.324 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mm -142.25 129.09 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 34.7 t -156.82 128.32 7.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.621 0.248 . . . . 0.0 110.357 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.784 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.072 -179.631 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.602 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 4.3 mmp_? -158.56 -45.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 tp -150.24 152.75 11.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.437 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.6 m -62.64 140.67 58.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 31.9 tpt85 -135.56 41.92 2.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.694 0.759 . . . . 0.0 109.982 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 59.2 m -68.24 139.71 56.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.501 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 tt -147.63 136.58 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.473 . . . . 0.0 110.728 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 88.1 m -147.7 143.66 27.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.321 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.45 -143.41 3.7 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.225 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -85.2 51.34 2.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.26 -56.76 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.325 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -89.13 138.87 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 40.3 t -158.89 113.32 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -152.5 135.88 15.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.644 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 2.1 t -108.23 126.11 52.43 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.9 mt -135.85 134.84 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 t -162.03 141.69 9.86 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.215 0 C-N-CA 120.082 -1.056 . . . . 0.0 113.589 179.491 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -76.66 -42.76 40.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.12 0.486 . . . . 0.0 110.559 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.12 133.4 56.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.574 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.72 118.83 9.43 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -137.49 49.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.494 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 65.3 m -85.47 131.25 34.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.826 0.346 . . . . 0.0 110.825 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mt -143.46 133.67 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.576 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 94.3 m -149.82 145.17 26.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.07 -146.1 4.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.395 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -81.59 50.86 1.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.09 -56.53 0.41 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.468 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.81 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 33.5 t -158.61 117.5 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.319 0.58 . . . . 0.0 110.247 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -151.93 131.36 12.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.483 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 35.1 t -124.85 126.68 45.96 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 120.93 0.395 . . . . 0.0 110.961 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.5 mm -137.28 118.25 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 t -152.8 139.52 18.89 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.048 0.451 . . . . 0.0 111.137 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' HG3' ' H ' ' A' ' 3' ' ' ILE . 24.0 ptt-85 . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -88.31 19.73 3.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' H ' ' HG3' ' A' ' 1' ' ' ARG . 67.0 mt -147.92 126.31 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.512 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.8 m -140.35 123.08 16.35 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.699 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -136.0 123.64 22.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.4 m -144.41 133.18 22.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.636 0.255 . . . . 0.0 110.4 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mt -145.32 134.15 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.4 m -148.42 146.4 28.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.6 -146.25 4.32 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.221 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -85.07 52.02 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.977 0.418 . . . . 0.0 111.555 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.69 -56.21 0.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.218 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 tt -89.04 143.97 10.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.809 0.337 . . . . 0.0 110.388 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 t -160.98 121.5 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.4 ptt85 -151.93 135.35 16.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.885 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.2 t -136.94 124.21 21.85 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.198 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.9 mt -132.27 97.55 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.2 t -138.02 132.87 32.85 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.523 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.399 0 C-N-CA 119.42 -1.372 . . . . 0.0 113.359 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 121.442 0.639 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 51.1 ttm-85 -169.83 -53.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.501 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.2 mm -127.88 125.38 64.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.326 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.6 m -110.02 138.67 46.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.46 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -136.67 111.03 8.47 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.8 m -137.9 132.75 32.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.885 0.374 . . . . 0.0 110.56 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 39.5 mm -134.34 146.23 31.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 43.5 t -157.34 142.87 17.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.11 -134.9 1.73 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.198 -1.001 . . . . 0.0 113.502 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.95 49.05 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.36 -40.89 1.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.347 -0.93 . . . . 0.0 113.292 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.5 mt -88.8 121.29 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.4 m -150.06 127.45 11.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.433 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -151.55 137.07 17.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.743 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -130.46 123.06 28.89 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.0 mm -142.27 144.2 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.23 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.1 t -159.52 132.48 6.88 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.643 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.236 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.759 -179.282 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -68.87 -44.74 72.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.063 0.458 . . . . 0.0 110.522 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.2 mt -138.69 130.65 37.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 77.8 m -142.45 125.76 16.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.176 0.512 . . . . 0.0 111.05 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -138.23 132.78 32.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.319 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.4 t -146.05 135.94 23.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.112 0.482 . . . . 0.0 110.612 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 tp -152.05 145.17 15.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.079 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 33.9 t -164.14 142.49 7.27 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.78 -148.26 5.3 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.991 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -83.76 50.1 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.895 0.379 . . . . 0.0 111.536 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.36 -52.75 0.42 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.315 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.8 tt -99.72 126.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 98.5 m -151.07 121.15 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.902 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -151.6 141.98 22.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.815 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -143.21 124.64 14.74 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 120.85 0.357 . . . . 0.0 110.685 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.8 mt -140.42 135.46 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 42.0 t -159.81 135.18 8.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.74 0.305 . . . . 0.0 110.536 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 C-N-CA 121.043 -0.599 . . . . 0.0 111.7 -179.785 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -171.7 -34.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.311 . . . . 0.0 110.785 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 64.1 mt -87.85 133.85 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.208 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.535 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 10.8 t -145.17 94.05 2.47 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -138.91 130.5 27.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.684 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.4 m -145.16 131.33 19.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.869 0.366 . . . . 0.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -141.3 141.65 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 22.6 t -156.3 141.26 17.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.71 -144.5 4.05 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.461 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.25 50.37 1.74 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.63 -56.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.567 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 54.1 mt -89.79 137.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.3 t -161.08 106.53 1.38 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.979 0.418 . . . . 0.0 110.226 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -150.28 144.55 25.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.594 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.8 t -141.26 123.18 15.41 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.9 mm -138.81 117.93 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.535 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 47.9 t -149.67 120.93 7.82 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.713 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.329 -179.42 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -171.79 -31.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 50.2 mm -87.95 139.62 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 7.0 t -148.85 82.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.337 0.589 . . . . 0.0 110.041 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -138.06 125.04 21.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.734 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 82.7 m -94.65 131.83 40.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.754 0.311 . . . . 0.0 110.241 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 10.2 tt -115.62 141.09 34.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 49.5 t -156.94 143.44 18.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.008 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.51 -146.94 4.5 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.716 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -89.99 51.83 2.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 122.537 -0.39 . . . . 0.0 111.196 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.72 -53.08 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.874 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.39 129.5 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.748 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 76.3 m -150.97 112.74 4.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.91 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -153.03 140.37 19.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.942 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 7.6 m -86.73 124.61 33.18 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.35 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.1 mt -103.36 80.16 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 24.6 t -129.13 123.6 32.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.75 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.767 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.362 -179.63 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.419 ' O ' ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -179.36 -31.12 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.792 0.329 . . . . 0.0 110.603 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.6 mt -87.96 124.69 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.103 0.477 . . . . 0.0 111.289 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.0 m -108.88 138.68 44.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.977 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -135.67 106.65 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.636 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 80.7 m -85.55 129.43 34.82 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.755 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm -112.41 135.48 51.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 26.9 t -164.66 143.92 7.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.241 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.97 -146.93 5.05 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.323 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -80.18 49.43 1.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.59 -55.66 0.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.514 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 56.7 mt -89.51 139.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 4.6 t -160.76 87.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.501 0.667 . . . . 0.0 110.306 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.4 ttp-105 -152.03 129.91 11.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.246 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.636 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 13.1 t -82.87 145.88 29.2 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.948 0.404 . . . . 0.0 110.947 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.2 mt -122.36 149.38 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -165.92 144.25 5.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 120.927 0.394 . . . . 0.0 110.998 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.918 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.042 -179.439 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.409 ' HG3' HG13 ' A' ' 3' ' ' ILE . 39.0 ptt180 -157.6 -32.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.482 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.409 HG13 ' HG3' ' A' ' 2' ' ' ARG . 45.1 mt -88.84 120.24 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 74.2 m -142.23 123.53 14.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.558 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 3.0 tpm_? -138.5 117.33 12.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.408 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -135.39 140.09 44.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.344 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 tp -151.4 148.07 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.722 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -154.87 140.16 17.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.371 -0.377 . . . . 0.0 109.993 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.45 ' C ' ' HD2' ' A' ' 10' ' ' ARG . . . -138.63 -127.35 2.49 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.865 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' HD2' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -121.5 49.72 1.49 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.255 0.55 . . . . 0.0 110.082 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 166.66 -47.51 0.26 Allowed Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.389 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mm -113.16 131.45 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.0 m -152.9 128.79 10.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.114 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -151.61 148.16 27.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.814 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -140.62 128.51 21.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.938 0.399 . . . . 0.0 110.438 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.4 mm -138.02 137.03 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 29.1 t -160.28 145.74 15.04 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.637 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.326 -179.092 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.8 mtp85 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.326 0.108 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -101.49 -24.07 14.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tp -88.06 139.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 110.733 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 37.1 t -158.39 103.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.957 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -138.23 130.59 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.738 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.9 m -133.02 131.4 40.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.893 0.378 . . . . 0.0 110.417 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 mt -117.9 126.79 75.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 76.8 m -149.88 145.46 26.55 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.475 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.64 -140.9 3.23 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.176 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -84.18 51.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.12 -51.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.639 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 46.2 mm -88.56 140.89 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 t -161.22 121.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -152.54 126.31 8.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.047 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.05 133.45 45.54 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.15 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.4 mt -130.58 84.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 73.0 m -130.97 136.05 48.19 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.502 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.959 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.139 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 112.719 0.636 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.422 ' O ' ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -173.77 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.873 0.368 . . . . 0.0 110.212 -179.667 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.5 mt -88.64 128.1 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.955 0.407 . . . . 0.0 110.749 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 90.7 m -140.79 113.33 8.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.172 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -139.03 127.64 23.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.4 m -145.8 128.42 16.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.82 0.343 . . . . 0.0 110.354 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.414 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 43.4 mt -148.12 135.44 13.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -144.92 145.92 31.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.48 -146.06 4.32 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.049 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -84.03 51.08 1.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.0 -57.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.454 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' ILE . 4.5 mp -89.06 136.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -156.82 122.01 4.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.226 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -151.98 141.29 21.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.815 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.4 t -141.21 120.51 13.06 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.003 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -134.71 125.45 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 42.0 t -153.91 125.86 7.78 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.659 -179.462 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.4 tpp85 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -166.25 -32.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.659 0.266 . . . . 0.0 111.187 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 59.2 mt -86.92 137.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 6.8 t -147.13 89.75 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.171 0.51 . . . . 0.0 110.31 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -137.6 122.1 18.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.442 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 96.2 m -90.53 131.83 36.05 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.026 0.441 . . . . 0.0 110.999 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mm -116.73 134.99 58.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 20.0 t -161.46 145.14 12.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.688 0.28 . . . . 0.0 110.419 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.15 -146.79 4.96 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.994 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.81 50.2 1.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.18 -55.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.556 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.7 mp -89.36 139.49 17.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 t -161.96 90.66 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.062 0.458 . . . . 0.0 109.817 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -150.41 134.55 16.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.525 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 34.1 m -84.32 126.44 33.2 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.6 mm -97.15 77.58 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 15.4 t -127.81 123.59 35.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.776 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.604 -179.671 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.6 mtm-85 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -73.28 -27.95 61.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.25 133.29 31.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.906 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.58 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 9.0 t -166.84 91.51 0.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.371 0.605 . . . . 0.0 110.091 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -139.04 129.11 25.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -142.44 131.28 22.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.982 0.42 . . . . 0.0 110.356 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.8 mm -137.01 144.87 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.048 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 39.2 t -158.26 141.17 14.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.65 -147.14 4.63 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.31 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -82.97 49.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.87 -52.33 0.48 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.199 -1.001 . . . . 0.0 113.287 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -97.39 127.78 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 m -151.31 125.96 9.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.597 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -150.13 141.23 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.932 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 t -141.52 122.33 14.41 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 120.741 0.305 . . . . 0.0 110.224 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.5 mt -140.03 121.6 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.58 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 49.1 t -151.37 132.56 14.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.367 0.603 . . . . 0.0 110.921 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.861 -179.651 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 . . . . . 0 CA--C 1.527 0.094 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -131.92 -43.7 0.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.353 . . . . 0.0 111.532 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 47.8 mm -88.16 139.23 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 6.1 t -159.25 87.07 0.83 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.677 0.751 . . . . 0.0 109.94 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -137.8 125.28 22.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.523 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -142.19 132.39 24.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.803 0.335 . . . . 0.0 110.53 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 mt -140.66 132.15 29.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.5 m -149.72 150.1 31.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.144 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.11 -148.66 4.82 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.952 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -82.28 48.72 1.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.6 -56.26 0.32 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.34 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -89.82 150.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -163.75 125.53 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -151.06 130.34 12.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.5 t -135.45 123.26 22.47 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.5 mm -134.43 105.71 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 39.5 t -142.43 146.87 35.29 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.835 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.927 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.933 -179.13 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.103 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -84.35 -48.75 9.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.285 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.3 mt -112.01 129.36 67.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.489 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.7 m -145.32 123.61 12.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.39 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -137.99 121.2 16.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 65.9 m -100.48 133.66 44.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.533 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.2 mm -126.48 122.89 62.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.5 m -152.27 150.83 30.2 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.94 4.23 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.842 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -85.21 50.92 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.66 -52.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.096 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.5 mm -88.66 141.55 14.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 t -160.07 111.56 1.97 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.296 0.57 . . . . 0.0 110.043 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -152.55 135.04 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.55 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 49.2 t -118.57 133.34 55.94 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.9 mt -103.77 109.84 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.4 t -145.56 128.9 16.84 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.578 179.589 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 82.8 m -150.77 145.61 25.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.616 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.22 -148.82 4.9 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -81.65 50.78 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.896 0.379 . . . . 0.0 111.879 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.94 -57.01 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.497 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.4 mm -88.84 140.51 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 44.4 t -160.66 120.0 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.073 0.464 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.83 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 5.3 pt . . . . . 0 N--CA 1.442 -0.867 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 72.9 m -144.8 144.37 31.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.23 -146.29 4.39 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.785 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -80.28 49.42 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.15 -55.47 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.828 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 47.0 mm -88.95 141.89 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 30.7 t -161.32 116.45 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.063 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.616 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 64.6 mt . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 43.4 t -150.04 142.84 24.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.99 -152.83 7.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -82.35 52.57 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.7 0.286 . . . . 0.0 111.645 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.2 -55.7 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.169 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tp -111.41 135.67 49.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 111.401 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 99.9 m -152.08 110.83 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.477 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.127 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.4 mm . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -151.99 147.67 26.81 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.253 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.75 -147.68 4.89 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.073 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -79.21 49.12 0.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.9 -54.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.642 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 tp -89.04 145.22 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.647 0.26 . . . . 0.0 110.43 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 t -162.95 98.78 0.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.501 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 45.3 t -163.41 137.75 6.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.931 0.396 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.25 -145.09 4.07 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.826 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 16.1 mmp_? -92.1 49.65 1.55 Allowed 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.611 -0.346 . . . . 0.0 111.499 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.33 -54.18 0.32 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.435 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -100.68 129.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.1 m -152.15 126.03 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.402 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.068 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 tt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.094 0.473 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 88.1 m -147.7 143.66 27.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.321 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.45 -143.41 3.7 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.225 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -85.2 51.34 2.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.26 -56.76 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.325 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -89.13 138.87 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 40.3 t -158.89 113.32 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.644 -179.611 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mt . . . . . 0 C--O 1.233 0.218 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 94.3 m -149.82 145.17 26.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.07 -146.1 4.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.395 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -81.59 50.86 1.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.09 -56.53 0.41 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.468 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.81 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 33.5 t -158.61 117.5 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.319 0.58 . . . . 0.0 110.247 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.483 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.4 m -148.42 146.4 28.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.6 -146.25 4.32 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.221 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -85.07 52.02 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.977 0.418 . . . . 0.0 111.555 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.69 -56.21 0.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.218 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 tt -89.04 143.97 10.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.809 0.337 . . . . 0.0 110.388 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 t -160.98 121.5 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.4 ptt85 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.885 -179.85 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 39.5 mm . . . . . 0 N--CA 1.459 0.011 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 43.5 t -157.34 142.87 17.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.11 -134.9 1.73 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.198 -1.001 . . . . 0.0 113.502 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.95 49.05 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.36 -40.89 1.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.347 -0.93 . . . . 0.0 113.292 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.5 mt -88.8 121.29 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.4 m -150.06 127.45 11.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.433 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.743 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 tp . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 33.9 t -164.14 142.49 7.27 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.78 -148.26 5.3 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.991 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -83.76 50.1 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.895 0.379 . . . . 0.0 111.536 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.36 -52.75 0.42 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.315 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.8 tt -99.72 126.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 98.5 m -151.07 121.15 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.902 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.815 179.115 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 22.6 t -156.3 141.26 17.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.71 -144.5 4.05 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.461 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.25 50.37 1.74 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.63 -56.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.567 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 54.1 mt -89.79 137.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.3 t -161.08 106.53 1.38 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.979 0.418 . . . . 0.0 110.226 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.594 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 10.2 tt . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 49.5 t -156.94 143.44 18.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.008 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.51 -146.94 4.5 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.716 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -89.99 51.83 2.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 122.537 -0.39 . . . . 0.0 111.196 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.72 -53.08 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.874 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.39 129.5 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.748 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 76.3 m -150.97 112.74 4.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.91 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.942 -179.568 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 26.9 t -164.66 143.92 7.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.241 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.97 -146.93 5.05 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.323 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -80.18 49.43 1.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.59 -55.66 0.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.514 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 56.7 mt -89.51 139.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 4.6 t -160.76 87.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.501 0.667 . . . . 0.0 110.306 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.4 ttp-105 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.246 179.589 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -154.87 140.16 17.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.371 -0.377 . . . . 0.0 109.993 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.45 ' C ' ' HD2' ' A' ' 10' ' ' ARG . . . -138.63 -127.35 2.49 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.865 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.45 ' HD2' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -121.5 49.72 1.49 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.255 0.55 . . . . 0.0 110.082 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 166.66 -47.51 0.26 Allowed Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.389 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mm -113.16 131.45 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.0 m -152.9 128.79 10.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.114 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.814 -179.641 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 mt . . . . . 0 CA--C 1.516 -0.357 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 76.8 m -149.88 145.46 26.55 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.475 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.64 -140.9 3.23 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.176 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -84.18 51.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.12 -51.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.639 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 46.2 mm -88.56 140.89 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 t -161.22 121.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.047 -179.22 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.414 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 43.4 mt . . . . . 0 C--O 1.236 0.371 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -144.92 145.92 31.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.48 -146.06 4.32 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.049 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -84.03 51.08 1.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.0 -57.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.454 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' ILE . 4.5 mp -89.06 136.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -156.82 122.01 4.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.226 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.815 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 20.0 t -161.46 145.14 12.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.688 0.28 . . . . 0.0 110.419 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.15 -146.79 4.96 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.994 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.81 50.2 1.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.18 -55.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.556 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.7 mp -89.36 139.49 17.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 t -161.96 90.66 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.062 0.458 . . . . 0.0 109.817 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.525 -179.579 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.8 mm . . . . . 0 C--O 1.231 0.087 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 39.2 t -158.26 141.17 14.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.65 -147.14 4.63 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.31 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -82.97 49.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.87 -52.33 0.48 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.199 -1.001 . . . . 0.0 113.287 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -97.39 127.78 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 m -151.31 125.96 9.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.597 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.932 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--O 1.232 0.179 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.5 m -149.72 150.1 31.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.144 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.11 -148.66 4.82 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.952 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -82.28 48.72 1.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.6 -56.26 0.32 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.34 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -89.82 150.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -163.75 125.53 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.5 m -152.27 150.83 30.2 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.94 4.23 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.842 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -85.21 50.92 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.66 -52.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.096 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.5 mm -88.66 141.55 14.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 t -160.07 111.56 1.97 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.296 0.57 . . . . 0.0 110.043 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.55 -179.755 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 N--CA 1.47 0.529 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -173.47 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.817 0.342 . . . . 0.0 110.62 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 tt -88.16 130.63 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.022 0.439 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 82.7 m -140.27 122.02 15.38 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.622 -178.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 5.4 mmp_? -135.58 52.09 2.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.573 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 56.8 m -77.15 126.4 30.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.949 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.1 mm -128.31 132.05 68.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 82.8 m -150.77 145.61 25.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.616 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.22 -148.82 4.9 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -81.65 50.78 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.896 0.379 . . . . 0.0 111.879 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.94 -57.01 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.497 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.4 mm -88.84 140.51 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 44.4 t -160.66 120.0 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.073 0.464 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -151.32 119.49 6.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.83 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 4.3 t -99.36 121.52 41.22 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.397 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 34.0 mm -120.63 69.26 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 46.7 t -123.88 126.69 46.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.304 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.927 -179.609 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -171.91 -36.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.942 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mm -88.49 128.07 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.35 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 71.6 m -139.83 108.19 5.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.248 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -139.19 137.46 36.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.352 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -119.28 126.79 52.31 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 120.979 0.419 . . . . 0.0 110.287 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 5.3 pt -107.26 113.35 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.625 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 72.9 m -144.8 144.37 31.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.23 -146.29 4.39 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.785 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -80.28 49.42 1.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.15 -55.47 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.828 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 47.0 mm -88.95 141.89 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 30.7 t -161.32 116.45 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.063 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -152.47 125.17 8.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.013 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -93.25 129.47 39.31 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 49.3 mm -122.28 103.18 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 37.2 t -142.09 129.03 20.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.592 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.764 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.862 -179.694 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -176.96 -45.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.735 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.1 mt -144.32 141.19 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.38 138.42 58.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -136.24 44.93 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.43 0.634 . . . . 0.0 110.704 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -76.9 131.33 38.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.339 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 64.6 mt -139.61 144.09 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.69 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 43.4 t -150.04 142.84 24.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.99 -152.83 7.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -82.35 52.57 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.7 0.286 . . . . 0.0 111.645 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.2 -55.7 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.169 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tp -111.41 135.67 49.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 111.401 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 99.9 m -152.08 110.83 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.477 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.24 135.57 15.91 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.127 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.1 t -105.95 125.43 50.98 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.8 mm -138.67 130.56 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.3 t -162.71 158.01 22.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.373 0 C-N-CA 120.3 -0.952 . . . . 0.0 113.029 179.235 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.468 ' HD3' ' O ' ' A' ' 18' ' ' GLY . 26.6 mmt180 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.101 0.477 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -156.1 -51.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 pt -143.03 144.23 24.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.097 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.5 m -108.92 141.16 41.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.053 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -137.45 114.23 10.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.026 0.441 . . . . 0.0 110.29 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.8 m -98.25 126.68 43.83 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.258 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.4 mm -112.92 124.82 69.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.8 m -151.99 147.67 26.81 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.253 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.75 -147.68 4.89 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.073 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -79.21 49.12 0.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.9 -54.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.642 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 tp -89.04 145.22 7.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.647 0.26 . . . . 0.0 110.43 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 t -162.95 98.78 0.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 127.06 9.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.501 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 13.6 t -92.11 145.89 24.15 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.051 0.453 . . . . 0.0 111.158 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.4 mt -128.56 138.49 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.309 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.4 t -159.84 138.92 10.91 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.43 0.633 . . . . 0.0 111.923 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' O ' ' HD3' ' A' ' 1' ' ' ARG . . . . . . . . 0 N--CA 1.443 -0.857 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.663 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.53 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 4.6 mmp_? -138.25 -30.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.7 mt -87.46 131.97 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 7.2 t -150.53 105.45 3.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.244 0.545 . . . . 0.0 110.051 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -138.49 129.74 27.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.837 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.2 t -146.47 129.85 16.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.247 0.546 . . . . 0.0 110.33 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt -152.42 147.67 14.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.084 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 45.3 t -163.41 137.75 6.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.931 0.396 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.25 -145.09 4.07 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.826 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 16.1 mmp_? -92.1 49.65 1.55 Allowed 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.611 -0.346 . . . . 0.0 111.499 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.33 -54.18 0.32 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.435 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mt -100.68 129.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.1 m -152.15 126.03 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.402 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -152.06 136.85 17.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.068 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.7 t -141.96 117.75 10.46 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 120.738 0.304 . . . . 0.0 110.324 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mm -142.25 129.09 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 34.7 t -156.82 128.32 7.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.621 0.248 . . . . 0.0 110.357 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.784 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.072 -179.631 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.602 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 4.3 mmp_? -158.56 -45.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 tp -150.24 152.75 11.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.437 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.6 m -62.64 140.67 58.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 5' ' ' ARG . 31.9 tpt85 -135.56 41.92 2.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.694 0.759 . . . . 0.0 109.982 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 15' ' ' CYS . 59.2 m -68.24 139.71 56.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.501 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 tt -147.63 136.58 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.473 . . . . 0.0 110.728 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 88.1 m -147.7 143.66 27.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.321 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.45 -143.41 3.7 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.225 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -85.2 51.34 2.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.26 -56.76 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.325 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -89.13 138.87 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 40.3 t -158.89 113.32 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -152.5 135.88 15.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.644 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 2.1 t -108.23 126.11 52.43 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.9 mt -135.85 134.84 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 t -162.03 141.69 9.86 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.215 0 C-N-CA 120.082 -1.056 . . . . 0.0 113.589 179.491 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -76.66 -42.76 40.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.12 0.486 . . . . 0.0 110.559 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.12 133.4 56.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.574 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.72 118.83 9.43 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -137.49 49.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.494 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 65.3 m -85.47 131.25 34.41 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.826 0.346 . . . . 0.0 110.825 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mt -143.46 133.67 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.576 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 94.3 m -149.82 145.17 26.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.07 -146.1 4.29 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.395 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -81.59 50.86 1.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.09 -56.53 0.41 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.468 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.81 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 33.5 t -158.61 117.5 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.319 0.58 . . . . 0.0 110.247 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -151.93 131.36 12.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.483 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 35.1 t -124.85 126.68 45.96 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 120.93 0.395 . . . . 0.0 110.961 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.5 mm -137.28 118.25 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 t -152.8 139.52 18.89 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.048 0.451 . . . . 0.0 111.137 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' HG3' ' H ' ' A' ' 3' ' ' ILE . 24.0 ptt-85 . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -88.31 19.73 3.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' H ' ' HG3' ' A' ' 1' ' ' ARG . 67.0 mt -147.92 126.31 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.512 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.8 m -140.35 123.08 16.35 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.699 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -136.0 123.64 22.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.4 m -144.41 133.18 22.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.636 0.255 . . . . 0.0 110.4 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mt -145.32 134.15 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.4 m -148.42 146.4 28.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.6 -146.25 4.32 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.221 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -85.07 52.02 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.977 0.418 . . . . 0.0 111.555 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.69 -56.21 0.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.218 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 tt -89.04 143.97 10.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.809 0.337 . . . . 0.0 110.388 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 t -160.98 121.5 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.148 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.4 ptt85 -151.93 135.35 16.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.885 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.2 t -136.94 124.21 21.85 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.198 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.9 mt -132.27 97.55 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.2 t -138.02 132.87 32.85 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.523 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.399 0 C-N-CA 119.42 -1.372 . . . . 0.0 113.359 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 121.442 0.639 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 51.1 ttm-85 -169.83 -53.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.501 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.2 mm -127.88 125.38 64.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.326 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.6 m -110.02 138.67 46.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.46 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -136.67 111.03 8.47 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.8 m -137.9 132.75 32.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.885 0.374 . . . . 0.0 110.56 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 39.5 mm -134.34 146.23 31.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 43.5 t -157.34 142.87 17.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.11 -134.9 1.73 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.198 -1.001 . . . . 0.0 113.502 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.95 49.05 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.36 -40.89 1.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.347 -0.93 . . . . 0.0 113.292 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.5 mt -88.8 121.29 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.4 m -150.06 127.45 11.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.433 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -151.55 137.07 17.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.743 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -130.46 123.06 28.89 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.0 mm -142.27 144.2 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.23 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.1 t -159.52 132.48 6.88 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.643 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.236 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.759 -179.282 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -68.87 -44.74 72.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.063 0.458 . . . . 0.0 110.522 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.2 mt -138.69 130.65 37.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 77.8 m -142.45 125.76 16.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.176 0.512 . . . . 0.0 111.05 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -138.23 132.78 32.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.319 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.4 t -146.05 135.94 23.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.112 0.482 . . . . 0.0 110.612 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 tp -152.05 145.17 15.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.079 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 33.9 t -164.14 142.49 7.27 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.78 -148.26 5.3 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.991 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -83.76 50.1 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.895 0.379 . . . . 0.0 111.536 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.36 -52.75 0.42 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.315 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.8 tt -99.72 126.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 98.5 m -151.07 121.15 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.902 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -151.6 141.98 22.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.815 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -143.21 124.64 14.74 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 120.85 0.357 . . . . 0.0 110.685 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.8 mt -140.42 135.46 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 42.0 t -159.81 135.18 8.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.74 0.305 . . . . 0.0 110.536 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 C-N-CA 121.043 -0.599 . . . . 0.0 111.7 -179.785 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 tpp85 . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -171.7 -34.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.311 . . . . 0.0 110.785 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 64.1 mt -87.85 133.85 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.208 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.535 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 10.8 t -145.17 94.05 2.47 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -138.91 130.5 27.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.684 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.4 m -145.16 131.33 19.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.869 0.366 . . . . 0.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.6 mt -141.3 141.65 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 22.6 t -156.3 141.26 17.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.71 -144.5 4.05 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.461 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.25 50.37 1.74 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.63 -56.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.567 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 54.1 mt -89.79 137.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.3 t -161.08 106.53 1.38 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.979 0.418 . . . . 0.0 110.226 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -150.28 144.55 25.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.594 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.8 t -141.26 123.18 15.41 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.9 mm -138.81 117.93 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.535 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 47.9 t -149.67 120.93 7.82 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.713 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.329 -179.42 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -171.79 -31.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 50.2 mm -87.95 139.62 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 7.0 t -148.85 82.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.337 0.589 . . . . 0.0 110.041 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -138.06 125.04 21.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.734 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 82.7 m -94.65 131.83 40.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.754 0.311 . . . . 0.0 110.241 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 10.2 tt -115.62 141.09 34.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 49.5 t -156.94 143.44 18.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.008 -178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.51 -146.94 4.5 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.716 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -89.99 51.83 2.14 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 122.537 -0.39 . . . . 0.0 111.196 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.72 -53.08 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.874 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.39 129.5 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.748 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 76.3 m -150.97 112.74 4.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.91 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -153.03 140.37 19.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.942 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 7.6 m -86.73 124.61 33.18 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.35 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.1 mt -103.36 80.16 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 24.6 t -129.13 123.6 32.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.75 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.767 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.362 -179.63 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.419 ' O ' ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -179.36 -31.12 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.792 0.329 . . . . 0.0 110.603 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.6 mt -87.96 124.69 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.103 0.477 . . . . 0.0 111.289 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.0 m -108.88 138.68 44.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.977 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -135.67 106.65 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.636 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 80.7 m -85.55 129.43 34.82 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.755 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm -112.41 135.48 51.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 26.9 t -164.66 143.92 7.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.241 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.97 -146.93 5.05 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.323 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -80.18 49.43 1.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.59 -55.66 0.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.514 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 56.7 mt -89.51 139.4 17.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 4.6 t -160.76 87.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.501 0.667 . . . . 0.0 110.306 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.4 ttp-105 -152.03 129.91 11.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.246 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.636 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 13.1 t -82.87 145.88 29.2 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.948 0.404 . . . . 0.0 110.947 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.2 mt -122.36 149.38 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -165.92 144.25 5.82 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 120.927 0.394 . . . . 0.0 110.998 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.918 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.042 -179.439 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.409 ' HG3' HG13 ' A' ' 3' ' ' ILE . 39.0 ptt180 -157.6 -32.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.482 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.409 HG13 ' HG3' ' A' ' 2' ' ' ARG . 45.1 mt -88.84 120.24 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 74.2 m -142.23 123.53 14.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.558 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 3.0 tpm_? -138.5 117.33 12.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.408 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -135.39 140.09 44.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.344 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.3 tp -151.4 148.07 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.722 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -154.87 140.16 17.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.371 -0.377 . . . . 0.0 109.993 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.45 ' C ' ' HD2' ' A' ' 10' ' ' ARG . . . -138.63 -127.35 2.49 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.865 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' HD2' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -121.5 49.72 1.49 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.255 0.55 . . . . 0.0 110.082 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 166.66 -47.51 0.26 Allowed Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.389 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mm -113.16 131.45 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.0 m -152.9 128.79 10.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.114 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -151.61 148.16 27.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.814 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -140.62 128.51 21.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.938 0.399 . . . . 0.0 110.438 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.4 mm -138.02 137.03 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 29.1 t -160.28 145.74 15.04 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.637 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.326 -179.092 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.8 mtp85 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.326 0.108 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -101.49 -24.07 14.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tp -88.06 139.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 110.733 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 37.1 t -158.39 103.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.957 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -138.23 130.59 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.738 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.9 m -133.02 131.4 40.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.893 0.378 . . . . 0.0 110.417 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 mt -117.9 126.79 75.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 76.8 m -149.88 145.46 26.55 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.475 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.64 -140.9 3.23 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.176 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -84.18 51.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.12 -51.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.639 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 46.2 mm -88.56 140.89 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 t -161.22 121.58 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -152.54 126.31 8.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.047 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.05 133.45 45.54 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.15 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.4 mt -130.58 84.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 73.0 m -130.97 136.05 48.19 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.502 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.959 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.139 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 112.719 0.636 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.422 ' O ' ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -173.77 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.873 0.368 . . . . 0.0 110.212 -179.667 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.5 mt -88.64 128.1 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.955 0.407 . . . . 0.0 110.749 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 90.7 m -140.79 113.33 8.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.172 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -139.03 127.64 23.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.518 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.4 m -145.8 128.42 16.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.82 0.343 . . . . 0.0 110.354 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.414 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 43.4 mt -148.12 135.44 13.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -144.92 145.92 31.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.48 -146.06 4.32 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.049 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -84.03 51.08 1.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.0 -57.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.454 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' ILE . 4.5 mp -89.06 136.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -156.82 122.01 4.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.226 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -151.98 141.29 21.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.815 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.4 t -141.21 120.51 13.06 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.003 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -134.71 125.45 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 42.0 t -153.91 125.86 7.78 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.659 -179.462 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.4 tpp85 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -166.25 -32.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.659 0.266 . . . . 0.0 111.187 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 59.2 mt -86.92 137.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 6.8 t -147.13 89.75 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.171 0.51 . . . . 0.0 110.31 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -137.6 122.1 18.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.442 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 96.2 m -90.53 131.83 36.05 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.026 0.441 . . . . 0.0 110.999 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mm -116.73 134.99 58.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 20.0 t -161.46 145.14 12.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.688 0.28 . . . . 0.0 110.419 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.15 -146.79 4.96 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.994 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.81 50.2 1.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.18 -55.11 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.556 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.7 mp -89.36 139.49 17.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 t -161.96 90.66 0.77 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.062 0.458 . . . . 0.0 109.817 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -150.41 134.55 16.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.525 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 34.1 m -84.32 126.44 33.2 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.6 mm -97.15 77.58 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 15.4 t -127.81 123.59 35.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.776 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.604 -179.671 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.6 mtm-85 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -73.28 -27.95 61.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.25 133.29 31.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.906 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.58 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 9.0 t -166.84 91.51 0.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.371 0.605 . . . . 0.0 110.091 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -139.04 129.11 25.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -142.44 131.28 22.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.982 0.42 . . . . 0.0 110.356 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.8 mm -137.01 144.87 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.048 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 39.2 t -158.26 141.17 14.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.65 -147.14 4.63 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.31 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -82.97 49.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.87 -52.33 0.48 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.199 -1.001 . . . . 0.0 113.287 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 mm -97.39 127.78 49.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 m -151.31 125.96 9.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.597 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -150.13 141.23 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.932 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 t -141.52 122.33 14.41 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 120.741 0.305 . . . . 0.0 110.224 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.5 mt -140.03 121.6 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.58 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 49.1 t -151.37 132.56 14.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.367 0.603 . . . . 0.0 110.921 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.861 -179.651 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 . . . . . 0 CA--C 1.527 0.094 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -131.92 -43.7 0.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.353 . . . . 0.0 111.532 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 17' ' ' CYS . 47.8 mm -88.16 139.23 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 6.1 t -159.25 87.07 0.83 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.677 0.751 . . . . 0.0 109.94 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -137.8 125.28 22.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.523 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -142.19 132.39 24.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.803 0.335 . . . . 0.0 110.53 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 mt -140.66 132.15 29.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.5 m -149.72 150.1 31.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.144 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.11 -148.66 4.82 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.952 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -82.28 48.72 1.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.6 -56.26 0.32 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.34 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -89.82 150.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.0 t -163.75 125.53 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -151.06 130.34 12.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.5 t -135.45 123.26 22.47 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.5 mm -134.43 105.71 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 39.5 t -142.43 146.87 35.29 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.835 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.927 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.933 -179.13 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.103 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -84.35 -48.75 9.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.285 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.3 mt -112.01 129.36 67.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.489 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.7 m -145.32 123.61 12.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.39 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -137.99 121.2 16.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 65.9 m -100.48 133.66 44.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.533 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.2 mm -126.48 122.89 62.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 75.5 m -152.27 150.83 30.2 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.94 4.23 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.842 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -85.21 50.92 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.66 -52.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.096 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.5 mm -88.66 141.55 14.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 t -160.07 111.56 1.97 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.296 0.57 . . . . 0.0 110.043 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -152.55 135.04 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.55 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 49.2 t -118.57 133.34 55.94 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.9 mt -103.77 109.84 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.4 t -145.56 128.9 16.84 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.578 179.589 . . . . . . . . 0 0 . 1 stop_ save_