data_1jd8_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 1jd8 _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 pt -82.35 140.01 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 123.978 0.799 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -138.18 137.78 37.95 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.974 0.51 . . . . 0.0 110.492 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.19 143.27 32.87 Favored Glycine 0 CA--C 1.546 2.026 0 N-CA-C 114.02 0.368 . . . . 0.0 114.02 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.34 -106.84 0.22 Allowed Glycine 0 N--CA 1.478 1.469 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -158.03 -84.61 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -81.59 -46.04 14.98 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 117.595 -1.193 . . . . 0.0 112.564 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.9 142.18 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 120.865 1.666 . . . . 0.0 109.439 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -81.62 -58.0 3.2 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.603 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.6 p -56.2 121.96 10.67 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 115.132 1.531 . . . . 0.0 115.132 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.4 p -100.2 79.82 2.2 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.129 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 124.147 1.927 . . . . 0.0 110.984 -179.499 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.9 pt -87.34 144.96 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 124.118 0.886 . . . . 0.0 111.852 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -95.47 129.4 42.65 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 122.317 1.056 . . . . 0.0 110.266 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.15 135.81 2.06 Favored Glycine 0 CA--C 1.541 1.684 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.194 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.71 -96.19 0.1 Allowed Glycine 0 N--CA 1.478 1.44 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -152.98 -85.88 0.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -97.58 -44.51 6.77 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 117.475 -1.25 . . . . 0.0 113.163 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -92.43 134.47 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 CA-C-N 121.244 1.838 . . . . 0.0 110.309 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -83.41 -39.72 20.26 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -60.31 125.88 25.35 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 120.196 1.362 . . . . 0.0 114.056 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.7 p -127.98 100.8 6.04 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 124.201 1.953 . . . . 0.0 113.362 -179.376 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.237 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pp -72.31 129.06 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 123.951 0.782 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -90.44 159.18 16.68 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.788 1.28 . . . . 0.0 113.456 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.69 -141.89 18.22 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-N 114.032 -1.44 . . . . 0.0 114.144 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 p . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.37 -104.62 0.18 Allowed Glycine 0 N--CA 1.477 1.412 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -160.73 -82.29 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.446 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -81.71 -29.87 32.8 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.1 pt -124.6 143.95 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-N 120.265 1.393 . . . . 0.0 109.716 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.94 -49.52 15.36 Favored 'General case' 0 CA--C 1.567 1.609 0 CA-C-O 117.993 -1.003 . . . . 0.0 113.181 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -56.0 108.48 0.46 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 119.871 1.214 . . . . 0.0 113.112 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -145.2 118.05 8.74 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 124.286 1.993 . . . . 0.0 110.33 179.432 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.242 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 pp -86.78 100.31 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 124.072 0.857 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -129.79 142.18 50.73 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.511 1.148 . . . . 0.0 110.75 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.03 -104.97 2.84 Favored Glycine 0 N--CA 1.482 1.738 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.477 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.84 -96.45 0.1 Allowed Glycine 0 N--CA 1.478 1.44 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -153.47 -94.93 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.27 -29.06 20.68 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 119.952 1.251 . . . . 0.0 114.173 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 pt -106.66 142.67 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 120.684 1.584 . . . . 0.0 109.98 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -79.23 -41.5 28.1 Favored 'General case' 0 CA--C 1.567 1.598 0 CA-C-O 117.396 -1.287 . . . . 0.0 114.347 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.8 p -57.84 102.93 0.11 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 120.912 1.687 . . . . 0.0 112.66 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.2 p -148.89 114.6 5.66 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 124.215 1.959 . . . . 0.0 108.82 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.29 102.27 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 124.053 0.845 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -88.18 115.86 25.97 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.659 0.743 . . . . 0.0 110.216 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.86 -127.11 2.52 Favored Glycine 0 N--CA 1.48 1.58 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.598 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 p . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.85 -94.49 0.1 OUTLIER Glycine 0 N--CA 1.477 1.417 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -154.53 -92.03 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.29 -26.25 21.24 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 pt -115.51 143.65 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 CA-C-N 120.797 1.635 . . . . 0.0 110.414 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.38 -23.32 35.04 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 p -69.39 99.48 1.22 Allowed 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 122.056 2.207 . . . . 0.0 110.769 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -141.24 106.16 4.95 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 124.605 2.145 . . . . 0.0 109.594 179.832 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.239 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.11 140.74 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 123.913 0.758 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -80.58 159.03 25.56 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.85 -151.13 24.73 Favored Glycine 0 CA--C 1.545 1.93 0 CA-C-N 113.874 -1.512 . . . . 0.0 113.48 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.32 -96.54 0.11 Allowed Glycine 0 N--CA 1.477 1.392 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -158.46 -85.48 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -85.27 -29.73 24.36 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 pt -120.29 146.01 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-N 120.164 1.347 . . . . 0.0 110.041 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -73.75 -49.17 26.8 Favored 'General case' 0 CA--C 1.568 1.635 0 CA-C-O 118.117 -0.944 . . . . 0.0 113.093 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.7 p -56.88 108.04 0.46 Allowed 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 119.68 1.127 . . . . 0.0 113.368 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.7 p -143.25 113.56 7.33 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 124.443 2.068 . . . . 0.0 109.625 179.502 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.0 126.18 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 124.014 0.821 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -136.39 115.44 12.37 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.1 -107.16 2.18 Favored Glycine 0 N--CA 1.485 1.936 0 CA-C-O 119.995 -0.336 . . . . 0.0 112.75 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.83 -95.56 0.12 Allowed Glycine 0 N--CA 1.476 1.357 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -159.91 -90.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -84.03 -39.63 19.39 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 117.836 -1.078 . . . . 0.0 113.191 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.8 pt -98.57 145.39 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 CA-C-N 120.475 1.489 . . . . 0.0 109.336 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.37 -67.23 0.56 Allowed 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 118.953 -0.546 . . . . 0.0 112.281 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -72.61 123.43 23.21 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 118.883 0.765 . . . . 0.0 112.025 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.8 p -130.24 98.73 4.81 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 122.965 1.364 . . . . 0.0 112.227 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -87.61 132.05 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 123.943 0.777 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -136.28 109.97 8.07 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.17 -106.32 1.86 Allowed Glycine 0 N--CA 1.485 1.92 0 C-N-CA 123.116 0.389 . . . . 0.0 112.913 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.7 -95.05 0.1 Allowed Glycine 0 N--CA 1.477 1.387 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -159.9 -95.03 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 tp -82.15 -40.48 21.74 Favored 'General case' 0 CA--C 1.569 1.702 0 CA-C-O 118.109 -0.948 . . . . 0.0 112.432 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -95.16 147.55 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 CA-C-N 120.117 1.326 . . . . 0.0 108.985 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.46 -68.12 0.53 Allowed 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -72.62 125.96 28.72 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -123.59 94.44 4.24 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 124.189 1.947 . . . . 0.0 110.889 -179.798 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.209 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 pp -81.9 134.12 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 123.979 0.799 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -141.28 154.46 45.75 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.878 1.323 . . . . 0.0 110.778 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.3 -100.22 2.12 Favored Glycine 0 N--CA 1.483 1.769 0 CA-C-N 114.29 -1.323 . . . . 0.0 112.158 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.487 1.375 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.18 -99.39 0.12 Allowed Glycine 0 N--CA 1.479 1.505 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -155.06 -90.62 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.3 tp -84.32 -41.92 16.31 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 117.729 -1.129 . . . . 0.0 113.798 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 pt -99.45 143.44 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 CA-C-N 120.634 1.561 . . . . 0.0 109.525 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -75.53 -63.36 1.31 Allowed 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 118.106 -0.949 . . . . 0.0 112.491 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -60.55 105.91 0.49 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 119.444 1.02 . . . . 0.0 112.642 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 p -147.46 112.47 5.46 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 124.57 2.128 . . . . 0.0 112.753 179.705 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -82.96 138.25 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 123.917 0.761 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -101.73 109.81 21.67 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.36 -133.03 3.3 Favored Glycine 0 N--CA 1.481 1.674 0 CA-C-N 114.598 -1.183 . . . . 0.0 112.789 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.1 -89.58 0.07 OUTLIER Glycine 0 N--CA 1.479 1.52 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -150.87 -92.36 0.06 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.84 -39.43 10.25 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 117.602 -1.189 . . . . 0.0 113.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.4 pt -97.49 143.09 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 CA-C-N 120.83 1.65 . . . . 0.0 110.535 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -82.12 -31.88 30.41 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -59.46 105.72 0.38 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 121.914 2.143 . . . . 0.0 112.479 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 p -143.11 113.01 7.06 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 123.05 1.405 . . . . 0.0 109.406 179.741 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.211 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.22 149.91 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 123.807 0.692 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -57.06 135.01 56.32 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.0 -106.14 1.11 Allowed Glycine 0 N--CA 1.48 1.602 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.47 -86.28 0.06 OUTLIER Glycine 0 N--CA 1.479 1.505 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -148.06 -90.85 0.08 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.8 tp -97.07 -38.2 9.85 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -104.01 148.89 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 CA-C-N 120.769 1.622 . . . . 0.0 110.977 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -77.33 -34.87 55.23 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -59.83 112.33 1.8 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 120.795 1.634 . . . . 0.0 113.419 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -132.63 97.43 4.07 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 123.028 1.394 . . . . 0.0 110.091 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.4 mm -97.06 134.61 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -83.91 157.36 21.98 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.422 1.106 . . . . 0.0 113.249 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.0 139.4 15.61 Favored Glycine 0 CA--C 1.543 1.84 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.602 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.99 -95.05 0.1 OUTLIER Glycine 0 N--CA 1.476 1.333 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -157.75 -85.81 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.5 mt -93.67 -22.37 18.79 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pp -122.42 142.57 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 120.605 1.548 . . . . 0.0 109.217 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.11 -47.42 18.28 Favored 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -75.99 89.51 2.98 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 119.886 1.221 . . . . 0.0 112.871 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.7 p -93.43 -65.04 1.02 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.75 0.82 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 124.242 1.972 . . . . 0.0 111.627 179.745 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.9 mm -96.76 133.38 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -87.83 157.19 19.07 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 122.476 1.131 . . . . 0.0 113.049 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.44 134.26 12.13 Favored Glycine 0 N--CA 1.484 1.886 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.384 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.65 -95.14 0.1 Allowed Glycine 0 N--CA 1.477 1.429 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -155.57 -89.19 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.2 tp -92.33 -40.74 10.75 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 117.507 -1.235 . . . . 0.0 113.905 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -98.18 135.14 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 120.979 1.718 . . . . 0.0 109.491 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -80.59 -35.87 33.57 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -60.82 111.28 1.58 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 120.79 1.632 . . . . 0.0 114.134 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.1 p -97.53 -69.42 0.76 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.677 0.791 . . . . 0.0 110.785 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 124.504 2.097 . . . . 0.0 109.571 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.8 mm -97.12 134.88 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -82.72 156.74 23.61 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 122.492 1.139 . . . . 0.0 113.369 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.81 136.39 13.19 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.808 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.88 -92.7 0.09 OUTLIER Glycine 0 N--CA 1.476 1.333 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -156.2 -89.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -89.58 -39.4 13.29 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 117.601 -1.19 . . . . 0.0 113.962 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 pt -103.96 144.34 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-N 120.762 1.619 . . . . 0.0 110.213 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -74.74 -44.98 47.03 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -68.31 109.9 3.83 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 119.754 1.161 . . . . 0.0 111.865 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.1 p -130.65 -73.36 0.55 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.24 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 124.592 2.139 . . . . 0.0 113.304 179.625 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.9 mm -90.77 130.11 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 -149.88 167.61 26.13 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.918 0.866 . . . . 0.0 111.182 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.96 -156.56 8.73 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 116.813 1.485 . . . . 0.0 116.813 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 121.676 0.751 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.2 -93.28 0.1 Allowed Glycine 0 N--CA 1.475 1.282 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -156.3 -99.34 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.7 tp -81.59 -43.07 19.16 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 119.511 1.05 . . . . 0.0 112.926 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.2 pt -95.96 146.76 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 CA-C-N 120.333 1.424 . . . . 0.0 108.427 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.63 -57.06 7.98 Favored 'General case' 0 CA--C 1.566 1.579 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -92.42 88.85 6.54 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 121.51 0.671 . . . . 0.0 111.197 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.3 p -79.39 -58.13 3.36 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.579 0.752 . . . . 0.0 111.945 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 124.231 1.967 . . . . 0.0 112.096 179.443 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.228 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.2 mm -93.21 130.32 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -153.8 158.1 40.37 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.365 1.079 . . . . 0.0 110.938 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.53 119.49 6.49 Favored Glycine 0 N--CA 1.482 1.732 0 CA-C-N 115.208 -0.905 . . . . 0.0 114.876 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.81 -85.42 0.06 OUTLIER Glycine 0 N--CA 1.477 1.414 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -152.49 -93.57 0.05 Allowed 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tt -93.6 -44.38 8.23 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 117.717 -1.135 . . . . 0.0 112.618 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -93.35 147.69 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-N 120.836 1.653 . . . . 0.0 110.528 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -77.12 -39.5 49.16 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -58.51 104.37 0.21 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 120.312 1.415 . . . . 0.0 114.348 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.7 p -140.87 -72.72 0.35 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.91 0.884 . . . . 0.0 109.514 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 124.493 2.092 . . . . 0.0 113.539 -179.85 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.6 mm -94.16 130.55 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -153.41 162.29 41.42 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 122.475 1.131 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.85 105.39 2.94 Favored Glycine 0 N--CA 1.481 1.648 0 N-CA-C 115.719 1.048 . . . . 0.0 115.719 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 121.757 0.789 . . . . 0.0 109.08 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.14 -90.88 0.08 OUTLIER Glycine 0 N--CA 1.476 1.321 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -159.5 -91.36 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.5 tp -88.58 -38.85 14.55 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 117.726 -1.131 . . . . 0.0 113.352 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.17 144.59 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-N 120.592 1.542 . . . . 0.0 109.536 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.65 -44.67 63.91 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -78.44 124.12 27.78 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 119.218 0.917 . . . . 0.0 111.577 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.7 p -134.32 96.97 3.71 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 122.986 1.374 . . . . 0.0 111.829 -179.831 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.6 mm -93.25 130.56 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -149.02 176.82 10.12 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.273 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.16 117.74 12.38 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.59 -96.56 0.1 Allowed Glycine 0 N--CA 1.476 1.313 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -161.9 -91.65 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 tp -83.53 -40.36 19.25 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 117.938 -1.03 . . . . 0.0 112.789 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -103.15 146.93 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 CA-C-N 120.274 1.397 . . . . 0.0 108.956 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -74.98 -57.87 3.63 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 t -79.39 103.77 9.54 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.264 0.625 . . . . 0.0 111.973 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -96.74 81.38 3.16 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 124.152 1.93 . . . . 0.0 108.817 -179.632 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 pt -84.98 140.49 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 123.952 0.783 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -133.79 116.45 15.73 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.25 154.06 28.53 Favored Glycine 0 CA--C 1.546 1.988 0 N-CA-C 114.69 0.636 . . . . 0.0 114.69 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.52 -92.27 0.08 OUTLIER Glycine 0 N--CA 1.477 1.375 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -158.81 -94.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -89.27 -24.34 22.09 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mm -114.87 139.46 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.09 -36.24 69.45 Favored 'General case' 0 CA--C 1.568 1.653 0 CA-C-N 113.668 -1.605 . . . . 0.0 114.527 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.8 p -80.91 85.01 6.27 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 119.99 1.268 . . . . 0.0 109.859 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.2 m -142.33 -73.09 0.31 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 124.371 2.034 . . . . 0.0 108.014 179.573 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.65 92.09 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 CA-C-O 122.619 1.199 . . . . 0.0 108.88 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -150.84 -175.8 5.27 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.371 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.56 -142.93 3.82 Favored Glycine 0 CA--C 1.548 2.142 0 O-C-N 121.431 -0.793 . . . . 0.0 113.429 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.76 -91.76 0.08 OUTLIER Glycine 0 N--CA 1.478 1.497 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -154.29 -92.43 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 118.716 -0.659 . . . . 0.0 109.787 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.3 mt -92.57 -26.11 18.04 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.5 mm -122.62 138.94 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 CA-C-N 120.715 1.598 . . . . 0.0 107.473 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.48 -43.27 56.78 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 113.154 -1.839 . . . . 0.0 114.043 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.0 t -95.35 98.27 10.45 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 120.294 1.406 . . . . 0.0 109.037 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.0 p -132.04 -77.08 0.51 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.665 0.786 . . . . 0.0 110.0 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 124.437 2.065 . . . . 0.0 112.548 -179.124 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 pt -82.35 140.01 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 123.978 0.799 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -138.18 137.78 37.95 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.974 0.51 . . . . 0.0 110.492 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.19 143.27 32.87 Favored Glycine 0 CA--C 1.546 2.026 0 N-CA-C 114.02 0.368 . . . . 0.0 114.02 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.34 -106.84 0.22 Allowed Glycine 0 N--CA 1.478 1.469 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -158.03 -84.61 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -81.59 -46.04 14.98 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 117.595 -1.193 . . . . 0.0 112.564 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.9 142.18 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 120.865 1.666 . . . . 0.0 109.439 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -81.62 -58.0 3.2 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.603 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.6 p -56.2 121.96 10.67 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 115.132 1.531 . . . . 0.0 115.132 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.4 p -100.2 79.82 2.2 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.129 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 124.147 1.927 . . . . 0.0 110.984 -179.499 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.9 pt -87.34 144.96 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 124.118 0.886 . . . . 0.0 111.852 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -95.47 129.4 42.65 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 122.317 1.056 . . . . 0.0 110.266 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.15 135.81 2.06 Favored Glycine 0 CA--C 1.541 1.684 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.194 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.71 -96.19 0.1 Allowed Glycine 0 N--CA 1.478 1.44 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -152.98 -85.88 0.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -97.58 -44.51 6.77 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 117.475 -1.25 . . . . 0.0 113.163 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -92.43 134.47 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 CA-C-N 121.244 1.838 . . . . 0.0 110.309 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -83.41 -39.72 20.26 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -60.31 125.88 25.35 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 120.196 1.362 . . . . 0.0 114.056 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.7 p -127.98 100.8 6.04 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 124.201 1.953 . . . . 0.0 113.362 -179.376 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.237 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pp -72.31 129.06 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 123.951 0.782 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -90.44 159.18 16.68 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.788 1.28 . . . . 0.0 113.456 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.69 -141.89 18.22 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-N 114.032 -1.44 . . . . 0.0 114.144 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 p . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.37 -104.62 0.18 Allowed Glycine 0 N--CA 1.477 1.412 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -160.73 -82.29 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.446 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -81.71 -29.87 32.8 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.1 pt -124.6 143.95 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-N 120.265 1.393 . . . . 0.0 109.716 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.94 -49.52 15.36 Favored 'General case' 0 CA--C 1.567 1.609 0 CA-C-O 117.993 -1.003 . . . . 0.0 113.181 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -56.0 108.48 0.46 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 119.871 1.214 . . . . 0.0 113.112 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -145.2 118.05 8.74 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 124.286 1.993 . . . . 0.0 110.33 179.432 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.242 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 pp -86.78 100.31 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 124.072 0.857 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -129.79 142.18 50.73 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.511 1.148 . . . . 0.0 110.75 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.03 -104.97 2.84 Favored Glycine 0 N--CA 1.482 1.738 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.477 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.84 -96.45 0.1 Allowed Glycine 0 N--CA 1.478 1.44 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -153.47 -94.93 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.27 -29.06 20.68 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 119.952 1.251 . . . . 0.0 114.173 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 pt -106.66 142.67 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 120.684 1.584 . . . . 0.0 109.98 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -79.23 -41.5 28.1 Favored 'General case' 0 CA--C 1.567 1.598 0 CA-C-O 117.396 -1.287 . . . . 0.0 114.347 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.8 p -57.84 102.93 0.11 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 120.912 1.687 . . . . 0.0 112.66 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.2 p -148.89 114.6 5.66 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 124.215 1.959 . . . . 0.0 108.82 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.29 102.27 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 124.053 0.845 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -88.18 115.86 25.97 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.659 0.743 . . . . 0.0 110.216 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.86 -127.11 2.52 Favored Glycine 0 N--CA 1.48 1.58 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.598 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 p . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.85 -94.49 0.1 OUTLIER Glycine 0 N--CA 1.477 1.417 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -154.53 -92.03 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.29 -26.25 21.24 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 pt -115.51 143.65 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 CA-C-N 120.797 1.635 . . . . 0.0 110.414 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.38 -23.32 35.04 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 p -69.39 99.48 1.22 Allowed 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 122.056 2.207 . . . . 0.0 110.769 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -141.24 106.16 4.95 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 124.605 2.145 . . . . 0.0 109.594 179.832 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.239 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.11 140.74 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 123.913 0.758 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -80.58 159.03 25.56 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.85 -151.13 24.73 Favored Glycine 0 CA--C 1.545 1.93 0 CA-C-N 113.874 -1.512 . . . . 0.0 113.48 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.32 -96.54 0.11 Allowed Glycine 0 N--CA 1.477 1.392 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -158.46 -85.48 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -85.27 -29.73 24.36 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 pt -120.29 146.01 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-N 120.164 1.347 . . . . 0.0 110.041 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -73.75 -49.17 26.8 Favored 'General case' 0 CA--C 1.568 1.635 0 CA-C-O 118.117 -0.944 . . . . 0.0 113.093 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.7 p -56.88 108.04 0.46 Allowed 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 119.68 1.127 . . . . 0.0 113.368 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.7 p -143.25 113.56 7.33 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 124.443 2.068 . . . . 0.0 109.625 179.502 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.0 126.18 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 124.014 0.821 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -136.39 115.44 12.37 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.1 -107.16 2.18 Favored Glycine 0 N--CA 1.485 1.936 0 CA-C-O 119.995 -0.336 . . . . 0.0 112.75 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.83 -95.56 0.12 Allowed Glycine 0 N--CA 1.476 1.357 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -159.91 -90.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -84.03 -39.63 19.39 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 117.836 -1.078 . . . . 0.0 113.191 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.8 pt -98.57 145.39 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 CA-C-N 120.475 1.489 . . . . 0.0 109.336 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.37 -67.23 0.56 Allowed 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 118.953 -0.546 . . . . 0.0 112.281 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -72.61 123.43 23.21 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 118.883 0.765 . . . . 0.0 112.025 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.8 p -130.24 98.73 4.81 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 122.965 1.364 . . . . 0.0 112.227 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -87.61 132.05 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 123.943 0.777 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -136.28 109.97 8.07 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.17 -106.32 1.86 Allowed Glycine 0 N--CA 1.485 1.92 0 C-N-CA 123.116 0.389 . . . . 0.0 112.913 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.7 -95.05 0.1 Allowed Glycine 0 N--CA 1.477 1.387 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -159.9 -95.03 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 tp -82.15 -40.48 21.74 Favored 'General case' 0 CA--C 1.569 1.702 0 CA-C-O 118.109 -0.948 . . . . 0.0 112.432 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -95.16 147.55 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 CA-C-N 120.117 1.326 . . . . 0.0 108.985 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.46 -68.12 0.53 Allowed 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -72.62 125.96 28.72 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -123.59 94.44 4.24 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 124.189 1.947 . . . . 0.0 110.889 -179.798 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.209 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 pp -81.9 134.12 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 123.979 0.799 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -141.28 154.46 45.75 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.878 1.323 . . . . 0.0 110.778 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.3 -100.22 2.12 Favored Glycine 0 N--CA 1.483 1.769 0 CA-C-N 114.29 -1.323 . . . . 0.0 112.158 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.487 1.375 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.18 -99.39 0.12 Allowed Glycine 0 N--CA 1.479 1.505 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -155.06 -90.62 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.3 tp -84.32 -41.92 16.31 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 117.729 -1.129 . . . . 0.0 113.798 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 pt -99.45 143.44 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 CA-C-N 120.634 1.561 . . . . 0.0 109.525 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -75.53 -63.36 1.31 Allowed 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 118.106 -0.949 . . . . 0.0 112.491 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -60.55 105.91 0.49 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 119.444 1.02 . . . . 0.0 112.642 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 p -147.46 112.47 5.46 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 124.57 2.128 . . . . 0.0 112.753 179.705 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -82.96 138.25 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 123.917 0.761 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -101.73 109.81 21.67 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.36 -133.03 3.3 Favored Glycine 0 N--CA 1.481 1.674 0 CA-C-N 114.598 -1.183 . . . . 0.0 112.789 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.1 -89.58 0.07 OUTLIER Glycine 0 N--CA 1.479 1.52 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -150.87 -92.36 0.06 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.84 -39.43 10.25 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 117.602 -1.189 . . . . 0.0 113.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.4 pt -97.49 143.09 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 CA-C-N 120.83 1.65 . . . . 0.0 110.535 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -82.12 -31.88 30.41 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -59.46 105.72 0.38 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 121.914 2.143 . . . . 0.0 112.479 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 p -143.11 113.01 7.06 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 123.05 1.405 . . . . 0.0 109.406 179.741 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.211 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.22 149.91 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 123.807 0.692 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -57.06 135.01 56.32 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.0 -106.14 1.11 Allowed Glycine 0 N--CA 1.48 1.602 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.47 -86.28 0.06 OUTLIER Glycine 0 N--CA 1.479 1.505 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -148.06 -90.85 0.08 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.8 tp -97.07 -38.2 9.85 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -104.01 148.89 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 CA-C-N 120.769 1.622 . . . . 0.0 110.977 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -77.33 -34.87 55.23 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -59.83 112.33 1.8 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 120.795 1.634 . . . . 0.0 113.419 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -132.63 97.43 4.07 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 123.028 1.394 . . . . 0.0 110.091 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.4 mm -97.06 134.61 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -83.91 157.36 21.98 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.422 1.106 . . . . 0.0 113.249 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.0 139.4 15.61 Favored Glycine 0 CA--C 1.543 1.84 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.602 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.99 -95.05 0.1 OUTLIER Glycine 0 N--CA 1.476 1.333 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -157.75 -85.81 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.5 mt -93.67 -22.37 18.79 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pp -122.42 142.57 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 120.605 1.548 . . . . 0.0 109.217 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.11 -47.42 18.28 Favored 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -75.99 89.51 2.98 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 119.886 1.221 . . . . 0.0 112.871 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.7 p -93.43 -65.04 1.02 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.75 0.82 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 124.242 1.972 . . . . 0.0 111.627 179.745 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.9 mm -96.76 133.38 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -87.83 157.19 19.07 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 122.476 1.131 . . . . 0.0 113.049 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.44 134.26 12.13 Favored Glycine 0 N--CA 1.484 1.886 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.384 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.65 -95.14 0.1 Allowed Glycine 0 N--CA 1.477 1.429 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -155.57 -89.19 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.2 tp -92.33 -40.74 10.75 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 117.507 -1.235 . . . . 0.0 113.905 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -98.18 135.14 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 120.979 1.718 . . . . 0.0 109.491 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -80.59 -35.87 33.57 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -60.82 111.28 1.58 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 120.79 1.632 . . . . 0.0 114.134 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.1 p -97.53 -69.42 0.76 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.677 0.791 . . . . 0.0 110.785 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 124.504 2.097 . . . . 0.0 109.571 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.8 mm -97.12 134.88 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -82.72 156.74 23.61 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 122.492 1.139 . . . . 0.0 113.369 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.81 136.39 13.19 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.808 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.88 -92.7 0.09 OUTLIER Glycine 0 N--CA 1.476 1.333 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -156.2 -89.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -89.58 -39.4 13.29 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 117.601 -1.19 . . . . 0.0 113.962 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 pt -103.96 144.34 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-N 120.762 1.619 . . . . 0.0 110.213 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -74.74 -44.98 47.03 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -68.31 109.9 3.83 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 119.754 1.161 . . . . 0.0 111.865 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.1 p -130.65 -73.36 0.55 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.24 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 124.592 2.139 . . . . 0.0 113.304 179.625 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.9 mm -90.77 130.11 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 -149.88 167.61 26.13 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.918 0.866 . . . . 0.0 111.182 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.96 -156.56 8.73 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 116.813 1.485 . . . . 0.0 116.813 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 121.676 0.751 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.2 -93.28 0.1 Allowed Glycine 0 N--CA 1.475 1.282 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -156.3 -99.34 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.7 tp -81.59 -43.07 19.16 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 119.511 1.05 . . . . 0.0 112.926 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.2 pt -95.96 146.76 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 CA-C-N 120.333 1.424 . . . . 0.0 108.427 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.63 -57.06 7.98 Favored 'General case' 0 CA--C 1.566 1.579 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -92.42 88.85 6.54 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 121.51 0.671 . . . . 0.0 111.197 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.3 p -79.39 -58.13 3.36 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.579 0.752 . . . . 0.0 111.945 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 124.231 1.967 . . . . 0.0 112.096 179.443 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.228 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.2 mm -93.21 130.32 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -153.8 158.1 40.37 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.365 1.079 . . . . 0.0 110.938 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.53 119.49 6.49 Favored Glycine 0 N--CA 1.482 1.732 0 CA-C-N 115.208 -0.905 . . . . 0.0 114.876 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.81 -85.42 0.06 OUTLIER Glycine 0 N--CA 1.477 1.414 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -152.49 -93.57 0.05 Allowed 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tt -93.6 -44.38 8.23 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 117.717 -1.135 . . . . 0.0 112.618 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -93.35 147.69 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-N 120.836 1.653 . . . . 0.0 110.528 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -77.12 -39.5 49.16 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -58.51 104.37 0.21 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 120.312 1.415 . . . . 0.0 114.348 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.7 p -140.87 -72.72 0.35 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.91 0.884 . . . . 0.0 109.514 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 124.493 2.092 . . . . 0.0 113.539 -179.85 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.6 mm -94.16 130.55 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -153.41 162.29 41.42 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 122.475 1.131 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.85 105.39 2.94 Favored Glycine 0 N--CA 1.481 1.648 0 N-CA-C 115.719 1.048 . . . . 0.0 115.719 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 121.757 0.789 . . . . 0.0 109.08 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.14 -90.88 0.08 OUTLIER Glycine 0 N--CA 1.476 1.321 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -159.5 -91.36 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.5 tp -88.58 -38.85 14.55 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 117.726 -1.131 . . . . 0.0 113.352 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.17 144.59 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-N 120.592 1.542 . . . . 0.0 109.536 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.65 -44.67 63.91 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -78.44 124.12 27.78 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 119.218 0.917 . . . . 0.0 111.577 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.7 p -134.32 96.97 3.71 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 122.986 1.374 . . . . 0.0 111.829 -179.831 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.6 mm -93.25 130.56 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -149.02 176.82 10.12 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.273 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.16 117.74 12.38 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.59 -96.56 0.1 Allowed Glycine 0 N--CA 1.476 1.313 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -161.9 -91.65 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 tp -83.53 -40.36 19.25 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 117.938 -1.03 . . . . 0.0 112.789 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -103.15 146.93 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 CA-C-N 120.274 1.397 . . . . 0.0 108.956 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -74.98 -57.87 3.63 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 t -79.39 103.77 9.54 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.264 0.625 . . . . 0.0 111.973 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -96.74 81.38 3.16 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 124.152 1.93 . . . . 0.0 108.817 -179.632 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 pt -84.98 140.49 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 123.952 0.783 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -133.79 116.45 15.73 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.25 154.06 28.53 Favored Glycine 0 CA--C 1.546 1.988 0 N-CA-C 114.69 0.636 . . . . 0.0 114.69 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.52 -92.27 0.08 OUTLIER Glycine 0 N--CA 1.477 1.375 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -158.81 -94.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -89.27 -24.34 22.09 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mm -114.87 139.46 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.09 -36.24 69.45 Favored 'General case' 0 CA--C 1.568 1.653 0 CA-C-N 113.668 -1.605 . . . . 0.0 114.527 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.8 p -80.91 85.01 6.27 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 119.99 1.268 . . . . 0.0 109.859 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.2 m -142.33 -73.09 0.31 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 124.371 2.034 . . . . 0.0 108.014 179.573 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.65 92.09 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 CA-C-O 122.619 1.199 . . . . 0.0 108.88 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -150.84 -175.8 5.27 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.371 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.56 -142.93 3.82 Favored Glycine 0 CA--C 1.548 2.142 0 O-C-N 121.431 -0.793 . . . . 0.0 113.429 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.76 -91.76 0.08 OUTLIER Glycine 0 N--CA 1.478 1.497 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -154.29 -92.43 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 118.716 -0.659 . . . . 0.0 109.787 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.3 mt -92.57 -26.11 18.04 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.5 mm -122.62 138.94 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 CA-C-N 120.715 1.598 . . . . 0.0 107.473 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.48 -43.27 56.78 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 113.154 -1.839 . . . . 0.0 114.043 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.0 t -95.35 98.27 10.45 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 120.294 1.406 . . . . 0.0 109.037 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.0 p -132.04 -77.08 0.51 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.665 0.786 . . . . 0.0 110.0 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 124.437 2.065 . . . . 0.0 112.548 -179.124 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 pt -82.35 140.01 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 123.978 0.799 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -138.18 137.78 37.95 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.974 0.51 . . . . 0.0 110.492 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.19 143.27 32.87 Favored Glycine 0 CA--C 1.546 2.026 0 N-CA-C 114.02 0.368 . . . . 0.0 114.02 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.34 -106.84 0.22 Allowed Glycine 0 N--CA 1.478 1.469 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -158.03 -84.61 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -81.59 -46.04 14.98 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 117.595 -1.193 . . . . 0.0 112.564 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.9 142.18 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 120.865 1.666 . . . . 0.0 109.439 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -81.62 -58.0 3.2 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.603 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.6 p -56.2 121.96 10.67 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 115.132 1.531 . . . . 0.0 115.132 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.4 p -100.2 79.82 2.2 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.129 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 124.147 1.927 . . . . 0.0 110.984 -179.499 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.9 pt -87.34 144.96 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 124.118 0.886 . . . . 0.0 111.852 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -95.47 129.4 42.65 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 122.317 1.056 . . . . 0.0 110.266 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.15 135.81 2.06 Favored Glycine 0 CA--C 1.541 1.684 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.194 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.71 -96.19 0.1 Allowed Glycine 0 N--CA 1.478 1.44 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -152.98 -85.88 0.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -97.58 -44.51 6.77 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 117.475 -1.25 . . . . 0.0 113.163 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -92.43 134.47 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 CA-C-N 121.244 1.838 . . . . 0.0 110.309 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -83.41 -39.72 20.26 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -60.31 125.88 25.35 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 120.196 1.362 . . . . 0.0 114.056 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.7 p -127.98 100.8 6.04 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 124.201 1.953 . . . . 0.0 113.362 -179.376 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.237 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pp -72.31 129.06 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 123.951 0.782 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -90.44 159.18 16.68 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.788 1.28 . . . . 0.0 113.456 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.69 -141.89 18.22 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-N 114.032 -1.44 . . . . 0.0 114.144 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 p . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.37 -104.62 0.18 Allowed Glycine 0 N--CA 1.477 1.412 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -160.73 -82.29 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.446 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -81.71 -29.87 32.8 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.1 pt -124.6 143.95 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-N 120.265 1.393 . . . . 0.0 109.716 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.94 -49.52 15.36 Favored 'General case' 0 CA--C 1.567 1.609 0 CA-C-O 117.993 -1.003 . . . . 0.0 113.181 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.9 p -56.0 108.48 0.46 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 119.871 1.214 . . . . 0.0 113.112 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -145.2 118.05 8.74 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 124.286 1.993 . . . . 0.0 110.33 179.432 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.242 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 pp -86.78 100.31 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 124.072 0.857 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -129.79 142.18 50.73 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.511 1.148 . . . . 0.0 110.75 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.03 -104.97 2.84 Favored Glycine 0 N--CA 1.482 1.738 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.477 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.84 -96.45 0.1 Allowed Glycine 0 N--CA 1.478 1.44 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -153.47 -94.93 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.27 -29.06 20.68 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 119.952 1.251 . . . . 0.0 114.173 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 pt -106.66 142.67 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 120.684 1.584 . . . . 0.0 109.98 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -79.23 -41.5 28.1 Favored 'General case' 0 CA--C 1.567 1.598 0 CA-C-O 117.396 -1.287 . . . . 0.0 114.347 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.8 p -57.84 102.93 0.11 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 120.912 1.687 . . . . 0.0 112.66 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.2 p -148.89 114.6 5.66 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 124.215 1.959 . . . . 0.0 108.82 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.29 102.27 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 124.053 0.845 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -88.18 115.86 25.97 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.659 0.743 . . . . 0.0 110.216 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.86 -127.11 2.52 Favored Glycine 0 N--CA 1.48 1.58 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.598 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 p . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.85 -94.49 0.1 OUTLIER Glycine 0 N--CA 1.477 1.417 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -154.53 -92.03 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.29 -26.25 21.24 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 pt -115.51 143.65 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 CA-C-N 120.797 1.635 . . . . 0.0 110.414 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.38 -23.32 35.04 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 p -69.39 99.48 1.22 Allowed 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 122.056 2.207 . . . . 0.0 110.769 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -141.24 106.16 4.95 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 124.605 2.145 . . . . 0.0 109.594 179.832 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.239 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.9 pt -81.11 140.74 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 123.913 0.758 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -80.58 159.03 25.56 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.85 -151.13 24.73 Favored Glycine 0 CA--C 1.545 1.93 0 CA-C-N 113.874 -1.512 . . . . 0.0 113.48 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.32 -96.54 0.11 Allowed Glycine 0 N--CA 1.477 1.392 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -158.46 -85.48 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -85.27 -29.73 24.36 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 pt -120.29 146.01 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-N 120.164 1.347 . . . . 0.0 110.041 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -73.75 -49.17 26.8 Favored 'General case' 0 CA--C 1.568 1.635 0 CA-C-O 118.117 -0.944 . . . . 0.0 113.093 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.7 p -56.88 108.04 0.46 Allowed 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 119.68 1.127 . . . . 0.0 113.368 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.7 p -143.25 113.56 7.33 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 124.443 2.068 . . . . 0.0 109.625 179.502 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.0 126.18 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 124.014 0.821 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -136.39 115.44 12.37 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.1 -107.16 2.18 Favored Glycine 0 N--CA 1.485 1.936 0 CA-C-O 119.995 -0.336 . . . . 0.0 112.75 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.83 -95.56 0.12 Allowed Glycine 0 N--CA 1.476 1.357 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -159.91 -90.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 tp -84.03 -39.63 19.39 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 117.836 -1.078 . . . . 0.0 113.191 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.8 pt -98.57 145.39 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 CA-C-N 120.475 1.489 . . . . 0.0 109.336 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.37 -67.23 0.56 Allowed 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 118.953 -0.546 . . . . 0.0 112.281 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -72.61 123.43 23.21 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 118.883 0.765 . . . . 0.0 112.025 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.8 p -130.24 98.73 4.81 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 122.965 1.364 . . . . 0.0 112.227 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -87.61 132.05 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 123.943 0.777 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -136.28 109.97 8.07 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.17 -106.32 1.86 Allowed Glycine 0 N--CA 1.485 1.92 0 C-N-CA 123.116 0.389 . . . . 0.0 112.913 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.7 -95.05 0.1 Allowed Glycine 0 N--CA 1.477 1.387 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -159.9 -95.03 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 tp -82.15 -40.48 21.74 Favored 'General case' 0 CA--C 1.569 1.702 0 CA-C-O 118.109 -0.948 . . . . 0.0 112.432 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -95.16 147.55 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 CA-C-N 120.117 1.326 . . . . 0.0 108.985 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.46 -68.12 0.53 Allowed 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -72.62 125.96 28.72 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -123.59 94.44 4.24 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 124.189 1.947 . . . . 0.0 110.889 -179.798 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.209 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 pp -81.9 134.12 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 123.979 0.799 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -141.28 154.46 45.75 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.878 1.323 . . . . 0.0 110.778 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.3 -100.22 2.12 Favored Glycine 0 N--CA 1.483 1.769 0 CA-C-N 114.29 -1.323 . . . . 0.0 112.158 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.487 1.375 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.18 -99.39 0.12 Allowed Glycine 0 N--CA 1.479 1.505 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -155.06 -90.62 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.3 tp -84.32 -41.92 16.31 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 117.729 -1.129 . . . . 0.0 113.798 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 pt -99.45 143.44 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 CA-C-N 120.634 1.561 . . . . 0.0 109.525 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -75.53 -63.36 1.31 Allowed 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 118.106 -0.949 . . . . 0.0 112.491 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -60.55 105.91 0.49 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 119.444 1.02 . . . . 0.0 112.642 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 p -147.46 112.47 5.46 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 124.57 2.128 . . . . 0.0 112.753 179.705 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -82.96 138.25 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 123.917 0.761 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -101.73 109.81 21.67 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.36 -133.03 3.3 Favored Glycine 0 N--CA 1.481 1.674 0 CA-C-N 114.598 -1.183 . . . . 0.0 112.789 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.1 -89.58 0.07 OUTLIER Glycine 0 N--CA 1.479 1.52 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -150.87 -92.36 0.06 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.84 -39.43 10.25 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 117.602 -1.189 . . . . 0.0 113.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.4 pt -97.49 143.09 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 CA-C-N 120.83 1.65 . . . . 0.0 110.535 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -82.12 -31.88 30.41 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -59.46 105.72 0.38 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 121.914 2.143 . . . . 0.0 112.479 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 p -143.11 113.01 7.06 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 123.05 1.405 . . . . 0.0 109.406 179.741 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.211 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.22 149.91 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 123.807 0.692 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -57.06 135.01 56.32 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.0 -106.14 1.11 Allowed Glycine 0 N--CA 1.48 1.602 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.47 -86.28 0.06 OUTLIER Glycine 0 N--CA 1.479 1.505 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -148.06 -90.85 0.08 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.8 tp -97.07 -38.2 9.85 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -104.01 148.89 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 CA-C-N 120.769 1.622 . . . . 0.0 110.977 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -77.33 -34.87 55.23 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -59.83 112.33 1.8 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 120.795 1.634 . . . . 0.0 113.419 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -132.63 97.43 4.07 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 123.028 1.394 . . . . 0.0 110.091 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.4 mm -97.06 134.61 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -83.91 157.36 21.98 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.422 1.106 . . . . 0.0 113.249 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.0 139.4 15.61 Favored Glycine 0 CA--C 1.543 1.84 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.602 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.99 -95.05 0.1 OUTLIER Glycine 0 N--CA 1.476 1.333 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -157.75 -85.81 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.5 mt -93.67 -22.37 18.79 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pp -122.42 142.57 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 120.605 1.548 . . . . 0.0 109.217 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.11 -47.42 18.28 Favored 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -75.99 89.51 2.98 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 119.886 1.221 . . . . 0.0 112.871 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.7 p -93.43 -65.04 1.02 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.75 0.82 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 124.242 1.972 . . . . 0.0 111.627 179.745 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.9 mm -96.76 133.38 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -87.83 157.19 19.07 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 122.476 1.131 . . . . 0.0 113.049 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.44 134.26 12.13 Favored Glycine 0 N--CA 1.484 1.886 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.384 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.65 -95.14 0.1 Allowed Glycine 0 N--CA 1.477 1.429 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -155.57 -89.19 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.2 tp -92.33 -40.74 10.75 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 117.507 -1.235 . . . . 0.0 113.905 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -98.18 135.14 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 120.979 1.718 . . . . 0.0 109.491 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -80.59 -35.87 33.57 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -60.82 111.28 1.58 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 120.79 1.632 . . . . 0.0 114.134 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.1 p -97.53 -69.42 0.76 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.677 0.791 . . . . 0.0 110.785 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 124.504 2.097 . . . . 0.0 109.571 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.8 mm -97.12 134.88 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -82.72 156.74 23.61 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 122.492 1.139 . . . . 0.0 113.369 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.81 136.39 13.19 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.808 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.88 -92.7 0.09 OUTLIER Glycine 0 N--CA 1.476 1.333 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -156.2 -89.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -89.58 -39.4 13.29 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 117.601 -1.19 . . . . 0.0 113.962 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 pt -103.96 144.34 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-N 120.762 1.619 . . . . 0.0 110.213 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -74.74 -44.98 47.03 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -68.31 109.9 3.83 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 119.754 1.161 . . . . 0.0 111.865 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.1 p -130.65 -73.36 0.55 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.24 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 124.592 2.139 . . . . 0.0 113.304 179.625 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.9 mm -90.77 130.11 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 -149.88 167.61 26.13 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.918 0.866 . . . . 0.0 111.182 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.96 -156.56 8.73 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 116.813 1.485 . . . . 0.0 116.813 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 121.676 0.751 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.2 -93.28 0.1 Allowed Glycine 0 N--CA 1.475 1.282 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -156.3 -99.34 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.7 tp -81.59 -43.07 19.16 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 119.511 1.05 . . . . 0.0 112.926 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.2 pt -95.96 146.76 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 CA-C-N 120.333 1.424 . . . . 0.0 108.427 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.63 -57.06 7.98 Favored 'General case' 0 CA--C 1.566 1.579 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -92.42 88.85 6.54 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 121.51 0.671 . . . . 0.0 111.197 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.3 p -79.39 -58.13 3.36 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.579 0.752 . . . . 0.0 111.945 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 124.231 1.967 . . . . 0.0 112.096 179.443 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.228 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.2 mm -93.21 130.32 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.0 p-90 -153.8 158.1 40.37 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.365 1.079 . . . . 0.0 110.938 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.53 119.49 6.49 Favored Glycine 0 N--CA 1.482 1.732 0 CA-C-N 115.208 -0.905 . . . . 0.0 114.876 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.81 -85.42 0.06 OUTLIER Glycine 0 N--CA 1.477 1.414 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -152.49 -93.57 0.05 Allowed 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tt -93.6 -44.38 8.23 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 117.717 -1.135 . . . . 0.0 112.618 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -93.35 147.69 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-N 120.836 1.653 . . . . 0.0 110.528 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -77.12 -39.5 49.16 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -58.51 104.37 0.21 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 120.312 1.415 . . . . 0.0 114.348 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.7 p -140.87 -72.72 0.35 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.91 0.884 . . . . 0.0 109.514 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 124.493 2.092 . . . . 0.0 113.539 -179.85 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.6 mm -94.16 130.55 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -153.41 162.29 41.42 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 122.475 1.131 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.85 105.39 2.94 Favored Glycine 0 N--CA 1.481 1.648 0 N-CA-C 115.719 1.048 . . . . 0.0 115.719 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 121.757 0.789 . . . . 0.0 109.08 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.14 -90.88 0.08 OUTLIER Glycine 0 N--CA 1.476 1.321 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -159.5 -91.36 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.5 tp -88.58 -38.85 14.55 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 117.726 -1.131 . . . . 0.0 113.352 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.17 144.59 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-N 120.592 1.542 . . . . 0.0 109.536 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.65 -44.67 63.91 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -78.44 124.12 27.78 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 119.218 0.917 . . . . 0.0 111.577 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.7 p -134.32 96.97 3.71 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 122.986 1.374 . . . . 0.0 111.829 -179.831 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.6 mm -93.25 130.56 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -149.02 176.82 10.12 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.273 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.16 117.74 12.38 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.59 -96.56 0.1 Allowed Glycine 0 N--CA 1.476 1.313 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -161.9 -91.65 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 tp -83.53 -40.36 19.25 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 117.938 -1.03 . . . . 0.0 112.789 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -103.15 146.93 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 CA-C-N 120.274 1.397 . . . . 0.0 108.956 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -74.98 -57.87 3.63 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 t -79.39 103.77 9.54 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.264 0.625 . . . . 0.0 111.973 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -96.74 81.38 3.16 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 124.152 1.93 . . . . 0.0 108.817 -179.632 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 pt -84.98 140.49 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 123.952 0.783 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -133.79 116.45 15.73 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.25 154.06 28.53 Favored Glycine 0 CA--C 1.546 1.988 0 N-CA-C 114.69 0.636 . . . . 0.0 114.69 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.52 -92.27 0.08 OUTLIER Glycine 0 N--CA 1.477 1.375 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -158.81 -94.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -89.27 -24.34 22.09 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mm -114.87 139.46 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -72.09 -36.24 69.45 Favored 'General case' 0 CA--C 1.568 1.653 0 CA-C-N 113.668 -1.605 . . . . 0.0 114.527 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.8 p -80.91 85.01 6.27 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 119.99 1.268 . . . . 0.0 109.859 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.2 m -142.33 -73.09 0.31 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 124.371 2.034 . . . . 0.0 108.014 179.573 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.65 92.09 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 CA-C-O 122.619 1.199 . . . . 0.0 108.88 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -150.84 -175.8 5.27 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.371 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.56 -142.93 3.82 Favored Glycine 0 CA--C 1.548 2.142 0 O-C-N 121.431 -0.793 . . . . 0.0 113.429 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.76 -91.76 0.08 OUTLIER Glycine 0 N--CA 1.478 1.497 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -154.29 -92.43 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 118.716 -0.659 . . . . 0.0 109.787 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.3 mt -92.57 -26.11 18.04 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.5 mm -122.62 138.94 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 CA-C-N 120.715 1.598 . . . . 0.0 107.473 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.48 -43.27 56.78 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 113.154 -1.839 . . . . 0.0 114.043 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.0 t -95.35 98.27 10.45 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 120.294 1.406 . . . . 0.0 109.037 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.0 p -132.04 -77.08 0.51 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.665 0.786 . . . . 0.0 110.0 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 124.437 2.065 . . . . 0.0 112.548 -179.124 . . . . . . . . 0 0 . 1 stop_ save_