data_2n0v_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 2n0v _Structure_validation_residue.Date_analyzed 2016-10-08 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 full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.269 0.557 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.6 -21.44 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.357 -0.839 . . . . 0.0 110.354 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.97 -17.72 7.44 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.247 -0.908 . . . . 0.0 110.358 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.58 -33.57 60.75 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -92.95 -5.23 51.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.41 -1.053 . . . . 0.0 110.414 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.49 -30.32 40.56 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.181 -0.949 . . . . 0.0 109.738 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -110.72 -25.25 10.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.603 -0.686 . . . . 0.0 109.744 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.41 47.98 1.36 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.55 157.08 45.62 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.294 -1.121 . . . . 0.0 110.172 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.233 0.54 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.61 -35.36 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.347 -0.846 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.34 -24.6 66.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 110.281 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.6 -39.02 96.81 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -4.61 15.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.432 -1.04 . . . . 0.0 110.509 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.19 -36.85 61.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.177 -0.952 . . . . 0.0 109.381 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -111.56 -20.51 12.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.648 -0.658 . . . . 0.0 109.609 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.21 49.86 1.29 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.3 ptm -122.53 -163.09 1.05 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.456 -1.026 . . . . 0.0 110.264 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.994 -1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.253 0.549 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -66.25 -28.06 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.261 -0.9 . . . . 0.0 110.136 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.75 -14.5 21.68 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.419 -0.801 . . . . 0.0 110.291 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.51 -30.45 49.16 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -96.01 -7.43 36.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -1.085 . . . . 0.0 110.469 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -30.7 29.32 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.213 -0.929 . . . . 0.0 109.801 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -111.34 -22.82 11.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.568 -0.707 . . . . 0.0 109.736 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.57 48.06 1.07 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.5 mtp -117.31 138.04 52.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.423 -1.045 . . . . 0.0 110.185 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.168 0.508 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.25 -38.96 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.383 -0.823 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.7 -21.2 66.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -0.819 . . . . 0.0 110.152 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.88 -37.81 95.19 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -89.38 -1.78 58.18 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.438 -1.036 . . . . 0.0 110.359 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.93 -33.98 39.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.236 -0.915 . . . . 0.0 109.478 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.1 -19.09 11.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.639 -0.663 . . . . 0.0 109.674 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.02 29.21 4.4 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -173.8 144.94 1.1 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.376 -1.073 . . . . 0.0 110.183 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.869 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.166 0.507 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.42 -38.13 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 110.247 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.19 -15.21 61.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.384 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.52 -28.24 27.66 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -99.73 -6.62 26.77 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -1.093 . . . . 0.0 110.608 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.47 -32.79 19.01 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.128 -0.983 . . . . 0.0 109.378 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -113.79 -16.18 12.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.677 -0.639 . . . . 0.0 109.516 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.76 54.47 2.63 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.0 mtt -57.98 163.47 2.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.38 -1.071 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.132 0.491 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 63.9 t -77.32 -58.95 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.42 -0.8 . . . . 0.0 109.937 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.17 -18.45 36.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.392 -0.818 . . . . 0.0 110.147 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.0 -33.2 57.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -97.02 -2.48 43.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.275 -1.132 . . . . 0.0 110.585 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.45 -31.1 33.0 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.147 -0.971 . . . . 0.0 109.654 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -114.85 -25.93 8.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.653 -0.655 . . . . 0.0 109.624 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.24 31.52 2.01 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.14 143.77 0.92 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.236 -1.156 . . . . 0.0 110.217 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.856 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.236 0.541 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.2 -54.02 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.398 -0.814 . . . . 0.0 110.093 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.86 -19.3 16.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.362 -0.836 . . . . 0.0 110.215 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.76 -34.55 62.54 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -96.62 -0.11 49.07 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -1.075 . . . . 0.0 110.473 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.81 -38.3 55.15 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.206 -0.934 . . . . 0.0 109.589 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -112.95 -21.05 11.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.625 -0.672 . . . . 0.0 109.581 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.64 39.8 1.55 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.14 -27.85 25.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.404 -1.056 . . . . 0.0 110.242 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.138 0.494 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.14 -45.49 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.824 . . . . 0.0 110.239 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.91 -15.81 24.54 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.05 -36.86 94.04 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -87.39 -6.8 58.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.482 -1.011 . . . . 0.0 110.239 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.52 -30.99 9.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.246 -0.909 . . . . 0.0 109.497 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -112.0 -19.93 12.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.724 -0.61 . . . . 0.0 109.485 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.69 54.01 2.6 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.7 mtt -143.24 42.28 1.52 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.456 -1.026 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.891 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.156 0.503 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.9 t -107.77 -31.91 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.365 -0.834 . . . . 0.0 110.039 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.98 -14.21 21.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.481 -0.762 . . . . 0.0 110.26 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -34.87 90.26 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -97.37 -2.56 42.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.424 -1.045 . . . . 0.0 110.456 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.78 -33.47 35.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.093 -1.005 . . . . 0.0 109.279 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -111.68 -22.88 10.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.745 -0.597 . . . . 0.0 109.481 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.48 51.17 1.89 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.2 mtm -140.89 -58.85 0.51 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.408 -1.054 . . . . 0.0 110.257 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.12 0.486 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.59 -58.4 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.376 -0.828 . . . . 0.0 110.094 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.55 -18.01 37.23 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.256 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.82 -31.45 44.1 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -101.78 -6.72 23.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.419 -1.048 . . . . 0.0 110.634 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.22 -31.73 33.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.234 -0.916 . . . . 0.0 109.644 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -111.06 -24.59 10.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.628 -0.67 . . . . 0.0 109.597 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.37 49.35 1.32 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 28.8 mtp -139.37 30.44 2.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.36 -1.082 . . . . 0.0 110.184 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.23 0.538 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.85 -37.67 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.319 -0.863 . . . . 0.0 110.239 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.0 -16.77 62.07 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.35 -0.844 . . . . 0.0 110.365 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.92 -32.94 63.12 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -98.7 -4.51 33.47 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.378 -1.072 . . . . 0.0 110.658 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.62 -35.52 54.67 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.162 -0.961 . . . . 0.0 109.776 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -20.39 12.15 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.575 -0.703 . . . . 0.0 109.824 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.25 48.31 1.15 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.81 -166.52 1.24 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.403 -1.057 . . . . 0.0 110.139 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.846 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.226 0.536 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.08 -35.6 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.327 -0.858 . . . . 0.0 110.208 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.28 -20.95 66.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.354 -0.841 . . . . 0.0 110.342 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.11 -38.08 93.83 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -2.56 57.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.393 -1.063 . . . . 0.0 110.496 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.42 -32.43 49.69 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.15 -0.969 . . . . 0.0 109.714 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -111.81 -24.15 10.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.538 -0.726 . . . . 0.0 109.835 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.99 47.08 0.85 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.87 -179.97 4.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.338 -1.096 . . . . 0.0 110.087 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.183 0.516 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.55 -56.47 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.407 -0.808 . . . . 0.0 110.147 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.0 -19.14 28.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.392 -0.818 . . . . 0.0 110.154 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.54 -31.37 33.62 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -92.38 -10.25 38.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.3 -1.118 . . . . 0.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.4 -30.31 18.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.14 -0.975 . . . . 0.0 109.864 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -110.95 -18.29 13.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.553 -0.717 . . . . 0.0 109.693 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.22 37.83 4.74 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 mmt -127.03 76.71 1.68 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.454 -1.027 . . . . 0.0 110.213 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.891 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.176 0.512 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.53 -35.96 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.335 -0.853 . . . . 0.0 110.245 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.82 -24.44 61.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.375 -0.828 . . . . 0.0 110.226 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.35 -35.32 48.31 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.18 -7.76 41.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.413 -1.051 . . . . 0.0 110.483 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -35.47 53.71 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.172 -0.955 . . . . 0.0 109.805 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -106.44 -20.57 13.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.567 -0.708 . . . . 0.0 109.841 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.68 51.51 1.81 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.1 mtp -78.77 -33.01 46.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.453 -1.028 . . . . 0.0 110.166 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.158 0.504 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.5 t -71.82 -59.25 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.405 -0.809 . . . . 0.0 110.096 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.72 -17.33 47.66 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.432 -0.793 . . . . 0.0 110.156 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.95 -34.91 89.88 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -100.18 -3.2 32.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.298 -1.119 . . . . 0.0 110.671 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.6 -35.88 55.1 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.109 -0.994 . . . . 0.0 109.632 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -112.95 -19.72 11.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.61 -0.681 . . . . 0.0 109.717 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.47 48.15 1.0 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 mmm -114.29 -164.49 0.94 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.367 -1.078 . . . . 0.0 110.074 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.175 0.512 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.2 t -62.33 -47.4 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.404 -0.81 . . . . 0.0 110.087 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.41 -15.34 25.33 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.372 -0.83 . . . . 0.0 110.313 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -36.18 92.57 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -109.53 -7.93 15.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.362 -1.081 . . . . 0.0 110.532 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -33.1 40.55 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.167 -0.958 . . . . 0.0 109.415 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -108.6 -26.48 10.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.658 -0.651 . . . . 0.0 109.281 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.11 48.89 1.19 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 mmt -116.49 -25.49 7.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.337 -1.096 . . . . 0.0 110.195 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.88 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.258 0.552 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -59.89 -35.41 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.314 -0.866 . . . . 0.0 110.187 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.6 -14.96 60.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.391 -0.818 . . . . 0.0 110.396 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.5 -30.33 53.72 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -100.66 -8.71 22.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -1.064 . . . . 0.0 110.598 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.33 -30.88 19.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.205 -0.935 . . . . 0.0 109.65 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -110.93 -23.02 11.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.627 -0.671 . . . . 0.0 109.649 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.39 50.66 1.68 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.44 -40.69 2.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -1.04 . . . . 0.0 110.193 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.922 -1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.091 0.472 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.9 t -110.78 -22.08 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.44 -0.787 . . . . 0.0 110.345 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.4 -14.84 21.14 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.343 -0.848 . . . . 0.0 110.407 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.27 -32.99 68.56 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -98.5 -3.95 35.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.406 -1.055 . . . . 0.0 110.509 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.66 -35.58 55.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.144 -0.972 . . . . 0.0 109.697 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -111.1 -21.2 12.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 109.782 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.51 49.55 1.29 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.0 mtp -73.05 97.0 2.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.366 -1.079 . . . . 0.0 110.192 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.7 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.179 0.514 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.81 -55.78 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.396 -0.815 . . . . 0.0 110.13 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.61 -18.35 29.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.445 -0.784 . . . . 0.0 110.25 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.27 -32.81 57.69 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -4.76 30.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.409 -1.054 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.93 34.66 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.148 -0.97 . . . . 0.0 109.248 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -110.17 -19.86 12.88 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.75 51.49 2.3 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.1 mtm -109.96 100.67 9.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.42 -1.047 . . . . 0.0 110.236 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.912 -1.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.248 0.546 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.39 -51.81 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.331 -0.855 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.94 -16.71 32.08 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.434 -0.791 . . . . 0.0 110.225 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.81 -36.51 92.87 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.0 -10.74 15.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -1.083 . . . . 0.0 110.509 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.61 -32.9 30.76 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.275 -0.891 . . . . 0.0 109.778 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -109.89 -23.92 11.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.552 -0.718 . . . . 0.0 109.637 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.24 49.21 1.35 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 mmt -121.95 75.67 1.23 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.414 -1.051 . . . . 0.0 110.196 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.269 0.557 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.6 -21.44 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.357 -0.839 . . . . 0.0 110.354 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.97 -17.72 7.44 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.247 -0.908 . . . . 0.0 110.358 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.58 -33.57 60.75 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -92.95 -5.23 51.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.41 -1.053 . . . . 0.0 110.414 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.49 -30.32 40.56 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.181 -0.949 . . . . 0.0 109.738 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -110.72 -25.25 10.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.603 -0.686 . . . . 0.0 109.744 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.41 47.98 1.36 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.55 157.08 45.62 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.294 -1.121 . . . . 0.0 110.172 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.233 0.54 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 3' ' ' ALA . 11.7 p -73.61 -35.36 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.347 -0.846 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.421 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -61.34 -24.6 66.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 110.281 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.6 -39.02 96.81 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -4.61 15.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.432 -1.04 . . . . 0.0 110.509 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.19 -36.85 61.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.177 -0.952 . . . . 0.0 109.381 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -111.56 -20.51 12.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.648 -0.658 . . . . 0.0 109.609 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.21 49.86 1.29 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.3 ptm -122.53 -163.09 1.05 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.456 -1.026 . . . . 0.0 110.264 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.994 -1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.253 0.549 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -66.25 -28.06 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.261 -0.9 . . . . 0.0 110.136 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.75 -14.5 21.68 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.419 -0.801 . . . . 0.0 110.291 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.51 -30.45 49.16 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -96.01 -7.43 36.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -1.085 . . . . 0.0 110.469 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -30.7 29.32 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.213 -0.929 . . . . 0.0 109.801 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.34 -22.82 11.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.568 -0.707 . . . . 0.0 109.736 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.57 48.06 1.07 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.5 mtp -117.31 138.04 52.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.423 -1.045 . . . . 0.0 110.185 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.168 0.508 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 3' ' ' ALA . 9.9 p -59.25 -38.96 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.383 -0.823 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.48 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -65.7 -21.2 66.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -0.819 . . . . 0.0 110.152 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.88 -37.81 95.19 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -89.38 -1.78 58.18 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.438 -1.036 . . . . 0.0 110.359 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.93 -33.98 39.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.236 -0.915 . . . . 0.0 109.478 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' HG3' ' CG ' ' A' ' 9' ' ' MET . 0.7 OUTLIER -113.1 -19.09 11.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.639 -0.663 . . . . 0.0 109.674 179.088 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.02 29.21 4.4 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.4 ' CG ' ' HG3' ' A' ' 7' ' ' GLN . 10.4 ptt? -173.8 144.94 1.1 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.376 -1.073 . . . . 0.0 110.183 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.869 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.166 0.507 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 3' ' ' ALA . 11.1 p -60.42 -38.13 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 110.247 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -74.19 -15.21 61.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.384 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.52 -28.24 27.66 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -99.73 -6.62 26.77 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -1.093 . . . . 0.0 110.608 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.47 -32.79 19.01 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.128 -0.983 . . . . 0.0 109.378 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -113.79 -16.18 12.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.677 -0.639 . . . . 0.0 109.516 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.76 54.47 2.63 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.0 mtt -57.98 163.47 2.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.38 -1.071 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.132 0.491 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 63.9 t -77.32 -58.95 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.42 -0.8 . . . . 0.0 109.937 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.17 -18.45 36.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.392 -0.818 . . . . 0.0 110.147 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.0 -33.2 57.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -97.02 -2.48 43.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.275 -1.132 . . . . 0.0 110.585 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.45 -31.1 33.0 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.147 -0.971 . . . . 0.0 109.654 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -114.85 -25.93 8.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.653 -0.655 . . . . 0.0 109.624 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.24 31.52 2.01 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.14 143.77 0.92 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.236 -1.156 . . . . 0.0 110.217 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.856 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.236 0.541 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.2 -54.02 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.398 -0.814 . . . . 0.0 110.093 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.86 -19.3 16.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.362 -0.836 . . . . 0.0 110.215 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.76 -34.55 62.54 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -96.62 -0.11 49.07 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -1.075 . . . . 0.0 110.473 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.81 -38.3 55.15 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.206 -0.934 . . . . 0.0 109.589 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -112.95 -21.05 11.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.625 -0.672 . . . . 0.0 109.581 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.64 39.8 1.55 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.14 -27.85 25.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.404 -1.056 . . . . 0.0 110.242 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.138 0.494 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.14 -45.49 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.824 . . . . 0.0 110.239 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.91 -15.81 24.54 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.05 -36.86 94.04 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -87.39 -6.8 58.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.482 -1.011 . . . . 0.0 110.239 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.52 -30.99 9.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.246 -0.909 . . . . 0.0 109.497 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -112.0 -19.93 12.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.724 -0.61 . . . . 0.0 109.485 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.69 54.01 2.6 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.7 mtt -143.24 42.28 1.52 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.456 -1.026 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.891 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.156 0.503 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.9 t -107.77 -31.91 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.365 -0.834 . . . . 0.0 110.039 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.98 -14.21 21.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.481 -0.762 . . . . 0.0 110.26 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -34.87 90.26 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -97.37 -2.56 42.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.424 -1.045 . . . . 0.0 110.456 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.78 -33.47 35.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.093 -1.005 . . . . 0.0 109.279 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -111.68 -22.88 10.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.745 -0.597 . . . . 0.0 109.481 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.48 51.17 1.89 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.2 mtm -140.89 -58.85 0.51 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.408 -1.054 . . . . 0.0 110.257 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.12 0.486 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.59 -58.4 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.376 -0.828 . . . . 0.0 110.094 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.55 -18.01 37.23 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.256 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.82 -31.45 44.1 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -101.78 -6.72 23.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.419 -1.048 . . . . 0.0 110.634 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.22 -31.73 33.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.234 -0.916 . . . . 0.0 109.644 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -111.06 -24.59 10.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.628 -0.67 . . . . 0.0 109.597 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.37 49.35 1.32 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 28.8 mtp -139.37 30.44 2.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.36 -1.082 . . . . 0.0 110.184 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.23 0.538 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 3' ' ' ALA . 11.9 p -61.85 -37.67 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.319 -0.863 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -72.0 -16.77 62.07 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.35 -0.844 . . . . 0.0 110.365 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.92 -32.94 63.12 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -98.7 -4.51 33.47 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.378 -1.072 . . . . 0.0 110.658 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.62 -35.52 54.67 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.162 -0.961 . . . . 0.0 109.776 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -20.39 12.15 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.575 -0.703 . . . . 0.0 109.824 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.25 48.31 1.15 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.81 -166.52 1.24 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.403 -1.057 . . . . 0.0 110.139 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.846 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.226 0.536 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 3' ' ' ALA . 10.6 p -60.08 -35.6 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.327 -0.858 . . . . 0.0 110.208 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.437 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -66.28 -20.95 66.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.354 -0.841 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.11 -38.08 93.83 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -2.56 57.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.393 -1.063 . . . . 0.0 110.496 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.42 -32.43 49.69 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.15 -0.969 . . . . 0.0 109.714 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -111.81 -24.15 10.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.538 -0.726 . . . . 0.0 109.835 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.99 47.08 0.85 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.87 -179.97 4.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.338 -1.096 . . . . 0.0 110.087 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.183 0.516 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.55 -56.47 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.407 -0.808 . . . . 0.0 110.147 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.0 -19.14 28.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.392 -0.818 . . . . 0.0 110.154 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.54 -31.37 33.62 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -92.38 -10.25 38.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.3 -1.118 . . . . 0.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.4 -30.31 18.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.14 -0.975 . . . . 0.0 109.864 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -110.95 -18.29 13.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.553 -0.717 . . . . 0.0 109.693 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.22 37.83 4.74 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 mmt -127.03 76.71 1.68 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.454 -1.027 . . . . 0.0 110.213 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.891 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.176 0.512 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 3' ' ' ALA . 10.6 p -59.53 -35.96 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.335 -0.853 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -58.82 -24.44 61.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.375 -0.828 . . . . 0.0 110.226 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.35 -35.32 48.31 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.18 -7.76 41.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.413 -1.051 . . . . 0.0 110.483 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -35.47 53.71 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.172 -0.955 . . . . 0.0 109.805 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.44 -20.57 13.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.567 -0.708 . . . . 0.0 109.841 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.68 51.51 1.81 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.1 mtp -78.77 -33.01 46.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.453 -1.028 . . . . 0.0 110.166 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.158 0.504 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.5 t -71.82 -59.25 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.405 -0.809 . . . . 0.0 110.096 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.72 -17.33 47.66 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.432 -0.793 . . . . 0.0 110.156 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.95 -34.91 89.88 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -100.18 -3.2 32.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.298 -1.119 . . . . 0.0 110.671 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.6 -35.88 55.1 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.109 -0.994 . . . . 0.0 109.632 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -112.95 -19.72 11.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.61 -0.681 . . . . 0.0 109.717 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.47 48.15 1.0 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 mmm -114.29 -164.49 0.94 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.367 -1.078 . . . . 0.0 110.074 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.175 0.512 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.2 t -62.33 -47.4 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.404 -0.81 . . . . 0.0 110.087 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.41 -15.34 25.33 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.372 -0.83 . . . . 0.0 110.313 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -36.18 92.57 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -109.53 -7.93 15.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.362 -1.081 . . . . 0.0 110.532 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -33.1 40.55 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.167 -0.958 . . . . 0.0 109.415 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -108.6 -26.48 10.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.658 -0.651 . . . . 0.0 109.281 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.11 48.89 1.19 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 mmt -116.49 -25.49 7.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.337 -1.096 . . . . 0.0 110.195 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.88 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.258 0.552 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 3' ' ' ALA . 10.7 p -59.89 -35.41 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.314 -0.866 . . . . 0.0 110.187 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -75.6 -14.96 60.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.391 -0.818 . . . . 0.0 110.396 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.5 -30.33 53.72 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -100.66 -8.71 22.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -1.064 . . . . 0.0 110.598 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.33 -30.88 19.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.205 -0.935 . . . . 0.0 109.65 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -110.93 -23.02 11.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.627 -0.671 . . . . 0.0 109.649 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.39 50.66 1.68 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.44 -40.69 2.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -1.04 . . . . 0.0 110.193 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.922 -1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.091 0.472 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.9 t -110.78 -22.08 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.44 -0.787 . . . . 0.0 110.345 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.4 -14.84 21.14 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.343 -0.848 . . . . 0.0 110.407 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.27 -32.99 68.56 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -98.5 -3.95 35.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.406 -1.055 . . . . 0.0 110.509 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.66 -35.58 55.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.144 -0.972 . . . . 0.0 109.697 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -111.1 -21.2 12.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 109.782 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.51 49.55 1.29 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.0 mtp -73.05 97.0 2.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.366 -1.079 . . . . 0.0 110.192 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.7 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.179 0.514 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.81 -55.78 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.396 -0.815 . . . . 0.0 110.13 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.61 -18.35 29.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.445 -0.784 . . . . 0.0 110.25 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.27 -32.81 57.69 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -4.76 30.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.409 -1.054 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.93 34.66 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.148 -0.97 . . . . 0.0 109.248 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -110.17 -19.86 12.88 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.75 51.49 2.3 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.1 mtm -109.96 100.67 9.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.42 -1.047 . . . . 0.0 110.236 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.912 -1.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.248 0.546 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.39 -51.81 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.331 -0.855 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.94 -16.71 32.08 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.434 -0.791 . . . . 0.0 110.225 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.81 -36.51 92.87 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.0 -10.74 15.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -1.083 . . . . 0.0 110.509 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.61 -32.9 30.76 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.275 -0.891 . . . . 0.0 109.778 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -109.89 -23.92 11.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.552 -0.718 . . . . 0.0 109.637 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.24 49.21 1.35 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 mmt -121.95 75.67 1.23 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.414 -1.051 . . . . 0.0 110.196 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.269 0.557 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.6 -21.44 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.357 -0.839 . . . . 0.0 110.354 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.97 -17.72 7.44 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.247 -0.908 . . . . 0.0 110.358 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.58 -33.57 60.75 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -92.95 -5.23 51.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.41 -1.053 . . . . 0.0 110.414 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.49 -30.32 40.56 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.181 -0.949 . . . . 0.0 109.738 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -110.72 -25.25 10.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.603 -0.686 . . . . 0.0 109.744 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.41 47.98 1.36 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.55 157.08 45.62 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.294 -1.121 . . . . 0.0 110.172 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.233 0.54 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 3' ' ' ALA . 11.7 p -73.61 -35.36 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.347 -0.846 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.421 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -61.34 -24.6 66.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 110.281 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.6 -39.02 96.81 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -4.61 15.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.432 -1.04 . . . . 0.0 110.509 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.19 -36.85 61.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.177 -0.952 . . . . 0.0 109.381 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -111.56 -20.51 12.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.648 -0.658 . . . . 0.0 109.609 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.21 49.86 1.29 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.3 ptm -122.53 -163.09 1.05 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.456 -1.026 . . . . 0.0 110.264 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.994 -1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.253 0.549 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -66.25 -28.06 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.261 -0.9 . . . . 0.0 110.136 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.75 -14.5 21.68 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.419 -0.801 . . . . 0.0 110.291 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.51 -30.45 49.16 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -96.01 -7.43 36.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -1.085 . . . . 0.0 110.469 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -30.7 29.32 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.213 -0.929 . . . . 0.0 109.801 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -111.34 -22.82 11.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.568 -0.707 . . . . 0.0 109.736 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.57 48.06 1.07 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.5 mtp -117.31 138.04 52.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.423 -1.045 . . . . 0.0 110.185 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.168 0.508 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 3' ' ' ALA . 9.9 p -59.25 -38.96 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.383 -0.823 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.48 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -65.7 -21.2 66.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -0.819 . . . . 0.0 110.152 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.88 -37.81 95.19 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -89.38 -1.78 58.18 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.438 -1.036 . . . . 0.0 110.359 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.93 -33.98 39.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.236 -0.915 . . . . 0.0 109.478 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' HG3' ' CG ' ' A' ' 9' ' ' MET . 0.7 OUTLIER -113.1 -19.09 11.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.639 -0.663 . . . . 0.0 109.674 179.088 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.02 29.21 4.4 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.4 ' CG ' ' HG3' ' A' ' 7' ' ' GLN . 10.4 ptt? -173.8 144.94 1.1 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.376 -1.073 . . . . 0.0 110.183 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.869 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.166 0.507 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 3' ' ' ALA . 11.1 p -60.42 -38.13 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 110.247 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -74.19 -15.21 61.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.384 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.52 -28.24 27.66 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -99.73 -6.62 26.77 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -1.093 . . . . 0.0 110.608 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.47 -32.79 19.01 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.128 -0.983 . . . . 0.0 109.378 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -113.79 -16.18 12.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.677 -0.639 . . . . 0.0 109.516 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.76 54.47 2.63 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.0 mtt -57.98 163.47 2.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.38 -1.071 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.132 0.491 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 63.9 t -77.32 -58.95 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.42 -0.8 . . . . 0.0 109.937 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.17 -18.45 36.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.392 -0.818 . . . . 0.0 110.147 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.0 -33.2 57.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -97.02 -2.48 43.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.275 -1.132 . . . . 0.0 110.585 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.45 -31.1 33.0 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.147 -0.971 . . . . 0.0 109.654 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -114.85 -25.93 8.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.653 -0.655 . . . . 0.0 109.624 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.24 31.52 2.01 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.14 143.77 0.92 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.236 -1.156 . . . . 0.0 110.217 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.856 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.236 0.541 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.2 -54.02 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.398 -0.814 . . . . 0.0 110.093 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.86 -19.3 16.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.362 -0.836 . . . . 0.0 110.215 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.76 -34.55 62.54 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -96.62 -0.11 49.07 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -1.075 . . . . 0.0 110.473 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.81 -38.3 55.15 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.206 -0.934 . . . . 0.0 109.589 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -112.95 -21.05 11.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.625 -0.672 . . . . 0.0 109.581 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.64 39.8 1.55 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.14 -27.85 25.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.404 -1.056 . . . . 0.0 110.242 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.138 0.494 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.14 -45.49 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.381 -0.824 . . . . 0.0 110.239 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.91 -15.81 24.54 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.05 -36.86 94.04 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -87.39 -6.8 58.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.482 -1.011 . . . . 0.0 110.239 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.52 -30.99 9.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.246 -0.909 . . . . 0.0 109.497 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -112.0 -19.93 12.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.724 -0.61 . . . . 0.0 109.485 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.69 54.01 2.6 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.7 mtt -143.24 42.28 1.52 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.456 -1.026 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.891 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.156 0.503 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.9 t -107.77 -31.91 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.365 -0.834 . . . . 0.0 110.039 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.98 -14.21 21.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.481 -0.762 . . . . 0.0 110.26 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -34.87 90.26 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -97.37 -2.56 42.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.424 -1.045 . . . . 0.0 110.456 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.78 -33.47 35.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.093 -1.005 . . . . 0.0 109.279 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -111.68 -22.88 10.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.745 -0.597 . . . . 0.0 109.481 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.48 51.17 1.89 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.2 mtm -140.89 -58.85 0.51 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.408 -1.054 . . . . 0.0 110.257 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.12 0.486 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.59 -58.4 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.376 -0.828 . . . . 0.0 110.094 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.55 -18.01 37.23 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.256 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.82 -31.45 44.1 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -101.78 -6.72 23.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.419 -1.048 . . . . 0.0 110.634 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.22 -31.73 33.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.234 -0.916 . . . . 0.0 109.644 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -111.06 -24.59 10.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.628 -0.67 . . . . 0.0 109.597 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.37 49.35 1.32 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 28.8 mtp -139.37 30.44 2.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.36 -1.082 . . . . 0.0 110.184 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.23 0.538 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 3' ' ' ALA . 11.9 p -61.85 -37.67 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.319 -0.863 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -72.0 -16.77 62.07 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.35 -0.844 . . . . 0.0 110.365 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.92 -32.94 63.12 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -98.7 -4.51 33.47 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.378 -1.072 . . . . 0.0 110.658 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.62 -35.52 54.67 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.162 -0.961 . . . . 0.0 109.776 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -20.39 12.15 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.575 -0.703 . . . . 0.0 109.824 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.25 48.31 1.15 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.81 -166.52 1.24 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.403 -1.057 . . . . 0.0 110.139 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.846 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.226 0.536 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 3' ' ' ALA . 10.6 p -60.08 -35.6 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.327 -0.858 . . . . 0.0 110.208 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.437 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -66.28 -20.95 66.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.354 -0.841 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.11 -38.08 93.83 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -2.56 57.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.393 -1.063 . . . . 0.0 110.496 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.42 -32.43 49.69 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.15 -0.969 . . . . 0.0 109.714 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -111.81 -24.15 10.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.538 -0.726 . . . . 0.0 109.835 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.99 47.08 0.85 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.87 -179.97 4.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.338 -1.096 . . . . 0.0 110.087 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.183 0.516 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.55 -56.47 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.407 -0.808 . . . . 0.0 110.147 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.0 -19.14 28.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.392 -0.818 . . . . 0.0 110.154 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.54 -31.37 33.62 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -92.38 -10.25 38.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.3 -1.118 . . . . 0.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.4 -30.31 18.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.14 -0.975 . . . . 0.0 109.864 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -110.95 -18.29 13.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.553 -0.717 . . . . 0.0 109.693 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.22 37.83 4.74 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 mmt -127.03 76.71 1.68 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.454 -1.027 . . . . 0.0 110.213 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.891 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.176 0.512 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 3' ' ' ALA . 10.6 p -59.53 -35.96 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.335 -0.853 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -58.82 -24.44 61.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.375 -0.828 . . . . 0.0 110.226 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.35 -35.32 48.31 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.18 -7.76 41.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.413 -1.051 . . . . 0.0 110.483 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -35.47 53.71 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.172 -0.955 . . . . 0.0 109.805 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -106.44 -20.57 13.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.567 -0.708 . . . . 0.0 109.841 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.68 51.51 1.81 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.1 mtp -78.77 -33.01 46.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.453 -1.028 . . . . 0.0 110.166 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.158 0.504 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.5 t -71.82 -59.25 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.405 -0.809 . . . . 0.0 110.096 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.72 -17.33 47.66 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.432 -0.793 . . . . 0.0 110.156 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.95 -34.91 89.88 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -100.18 -3.2 32.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.298 -1.119 . . . . 0.0 110.671 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.6 -35.88 55.1 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.109 -0.994 . . . . 0.0 109.632 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -112.95 -19.72 11.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.61 -0.681 . . . . 0.0 109.717 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.47 48.15 1.0 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 mmm -114.29 -164.49 0.94 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.367 -1.078 . . . . 0.0 110.074 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.175 0.512 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.2 t -62.33 -47.4 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.404 -0.81 . . . . 0.0 110.087 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.41 -15.34 25.33 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.372 -0.83 . . . . 0.0 110.313 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -36.18 92.57 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -109.53 -7.93 15.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.362 -1.081 . . . . 0.0 110.532 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -33.1 40.55 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.167 -0.958 . . . . 0.0 109.415 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -108.6 -26.48 10.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.658 -0.651 . . . . 0.0 109.281 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.11 48.89 1.19 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 mmt -116.49 -25.49 7.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.337 -1.096 . . . . 0.0 110.195 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.88 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.258 0.552 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 3' ' ' ALA . 10.7 p -59.89 -35.41 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.314 -0.866 . . . . 0.0 110.187 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -75.6 -14.96 60.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.391 -0.818 . . . . 0.0 110.396 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.5 -30.33 53.72 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -100.66 -8.71 22.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -1.064 . . . . 0.0 110.598 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.33 -30.88 19.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.205 -0.935 . . . . 0.0 109.65 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -110.93 -23.02 11.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.627 -0.671 . . . . 0.0 109.649 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.39 50.66 1.68 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.44 -40.69 2.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.432 -1.04 . . . . 0.0 110.193 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.922 -1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.091 0.472 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.9 t -110.78 -22.08 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.44 -0.787 . . . . 0.0 110.345 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.4 -14.84 21.14 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.343 -0.848 . . . . 0.0 110.407 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.27 -32.99 68.56 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -98.5 -3.95 35.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.406 -1.055 . . . . 0.0 110.509 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.66 -35.58 55.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.144 -0.972 . . . . 0.0 109.697 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -111.1 -21.2 12.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 109.782 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.51 49.55 1.29 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.0 mtp -73.05 97.0 2.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.366 -1.079 . . . . 0.0 110.192 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.7 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.179 0.514 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.81 -55.78 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.396 -0.815 . . . . 0.0 110.13 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.61 -18.35 29.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.445 -0.784 . . . . 0.0 110.25 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.27 -32.81 57.69 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.4 -4.76 30.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.409 -1.054 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.93 34.66 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.148 -0.97 . . . . 0.0 109.248 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -110.17 -19.86 12.88 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.75 51.49 2.3 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.1 mtm -109.96 100.67 9.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.42 -1.047 . . . . 0.0 110.236 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.912 -1.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.248 0.546 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.39 -51.81 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.331 -0.855 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.94 -16.71 32.08 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.434 -0.791 . . . . 0.0 110.225 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.81 -36.51 92.87 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.0 -10.74 15.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.358 -1.083 . . . . 0.0 110.509 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.61 -32.9 30.76 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.275 -0.891 . . . . 0.0 109.778 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -109.89 -23.92 11.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.552 -0.718 . . . . 0.0 109.637 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.24 49.21 1.35 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 mmt -121.95 75.67 1.23 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.414 -1.051 . . . . 0.0 110.196 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_