data_2ajm_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 2ajm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.502 2.13 0 CA-C-O 121.137 0.494 . . . . 10.0 110.604 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.489 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 35.8 t80 -113.04 165.73 12.08 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.365 -0.835 . . . . 10.0 110.474 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 14.3 t 72.77 -10.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 121.975 -0.453 . . . . 10.0 111.633 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tp -101.17 -47.32 4.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.094 -1.004 . . . . 10.0 109.514 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.15 -34.68 78.96 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.841 -0.537 . . . . 10.0 110.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.22 -40.25 95.65 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.416 -0.803 . . . . 10.0 110.09 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 mm -68.19 -34.42 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.56 -0.712 . . . . 10.0 109.859 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -73.59 -24.52 60.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.21 -0.931 . . . . 10.0 110.109 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.6 t -55.35 -35.56 65.35 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -32.82 34.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -54.58 -44.08 72.69 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.919 -0.488 . . . . 10.0 110.658 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -38.29 83.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.424 -0.797 . . . . 10.0 110.21 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -37.97 78.46 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.686 -0.634 . . . . 10.0 109.758 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.8 mt -74.74 -39.14 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.444 -0.785 . . . . 10.0 109.615 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -66.83 -48.67 68.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.679 -0.638 . . . . 10.0 110.512 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.17 61.47 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.767 . . . . 10.0 110.358 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.38 -41.31 91.21 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.438 -1.465 . . . . 10.0 109.438 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.16 51.03 1.09 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.445 -1.032 . . . . 10.0 109.695 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.24 -55.66 0.59 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 10.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HG3' HG13 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -70.42 -33.77 71.73 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.309 -0.869 . . . . 10.0 110.552 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG13 ' HG3' ' A' ' 22' ' ' LYS . 59.1 mt . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 10.0 109.359 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 120.993 0.425 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -71.79 -46.05 59.54 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.239 -0.913 . . . . 10.0 110.352 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.91 -35.01 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.384 -0.823 . . . . 10.0 110.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.73 -43.48 88.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.535 -0.728 . . . . 10.0 110.565 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -36.8 76.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.569 -0.707 . . . . 10.0 110.698 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.14 -39.46 94.08 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.41 -0.806 . . . . 10.0 110.251 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.95 -38.39 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.463 -0.773 . . . . 10.0 110.16 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.437 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 38.4 t80 -73.17 -24.48 60.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 10.0 110.341 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -55.11 -41.16 71.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.199 -0.938 . . . . 10.0 108.534 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.72 -33.24 75.2 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.771 -0.581 . . . . 10.0 109.929 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 45.0 t60 -60.66 -46.11 91.55 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.688 -0.633 . . . . 10.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -77.52 -30.35 52.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.332 -0.855 . . . . 10.0 110.307 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -32.98 69.03 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.654 -0.654 . . . . 10.0 110.093 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 16' ' ' ILE . 38.3 mm -98.33 -42.05 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.445 -0.784 . . . . 10.0 110.023 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -54.62 -39.61 68.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.506 -0.746 . . . . 10.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -106.56 -13.25 15.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.615 -0.678 . . . . 10.0 110.709 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.68 50.82 4.38 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.33 88.26 0.07 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.736 -0.861 . . . . 10.0 111.567 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.91 -54.71 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.487 -0.758 . . . . 10.0 109.721 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -66.52 -44.44 82.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.711 . . . . 10.0 110.029 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.496 1.858 0 O-C-N 121.439 -0.788 . . . . 10.0 109.739 179.196 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 N--CA 1.502 2.171 0 CA-C-O 120.701 0.286 . . . . 10.0 111.35 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.516 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 47.6 t80 60.86 173.02 0.1 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.501 -0.749 . . . . 10.0 111.241 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 23.9 t 72.75 -8.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.503 0 O-C-N 121.77 -0.581 . . . . 10.0 111.854 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -97.15 -43.9 7.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.96 -1.088 . . . . 10.0 110.033 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.8 -36.89 70.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.717 -0.614 . . . . 10.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -43.15 84.78 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.304 -0.873 . . . . 10.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.09 -44.49 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.319 -0.863 . . . . 10.0 110.408 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -69.75 -23.78 63.43 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 10.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -55.74 -35.79 66.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.202 -0.936 . . . . 10.0 108.519 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.7 -33.56 46.79 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -56.22 -45.38 79.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.638 -0.664 . . . . 10.0 110.158 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -63.71 -39.3 93.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.567 -0.708 . . . . 10.0 110.117 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -41.55 95.42 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.769 -0.582 . . . . 10.0 109.815 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mm -70.38 -32.08 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 10.0 109.985 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.14 -43.37 95.77 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.623 -0.673 . . . . 10.0 110.364 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -32.14 20.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.391 -0.818 . . . . 10.0 110.381 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 -30.59 70.75 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.018 -1.233 . . . . 10.0 110.018 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.15 51.75 2.33 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -1.067 . . . . 10.0 110.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -131.78 -46.96 0.95 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.203 -0.936 . . . . 10.0 110.092 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 23' ' ' ILE . 3.6 ptpp? -72.52 -33.43 66.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.58 -0.7 . . . . 10.0 110.479 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 ' HG3' ' A' ' 22' ' ' LYS . 5.4 mt . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.267 -0.896 . . . . 10.0 109.442 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 121.325 0.583 . . . . 10.0 110.219 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.514 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 49.9 t80 -86.88 167.99 13.83 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.386 -0.821 . . . . 10.0 110.413 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.514 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 19.1 t 75.58 -21.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 O-C-N 122.013 -0.429 . . . . 10.0 111.721 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' HG21 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -88.11 -43.11 11.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.917 -1.115 . . . . 10.0 109.918 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.16 -41.79 76.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.647 -0.658 . . . . 10.0 109.905 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.2 -33.36 75.22 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.561 -0.712 . . . . 10.0 111.218 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.451 HG21 ' O ' ' A' ' 6' ' ' LEU . 2.8 tp -63.49 -32.89 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.137 -0.977 . . . . 10.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -84.64 -22.33 29.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.127 -0.983 . . . . 10.0 110.015 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.2 t -58.02 -38.93 77.1 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.039 -1.097 . . . . 10.0 108.039 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -30.63 43.69 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -59.35 -44.07 92.71 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.672 -0.643 . . . . 10.0 110.076 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -27.31 62.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.498 -0.752 . . . . 10.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.42 -40.89 93.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.372 -0.83 . . . . 10.0 110.192 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.492 ' HA ' HD22 ' A' ' 20' ' ' LEU . 62.0 mt -81.2 -22.21 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.355 -0.84 . . . . 10.0 110.809 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -37.14 13.12 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.149 -0.969 . . . . 10.0 110.846 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.93 -31.26 3.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.905 . . . . 10.0 111.626 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.73 93.5 Favored Glycine 0 N--CA 1.499 2.87 0 N-CA-C 109.809 -1.316 . . . . 10.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 16' ' ' ILE . 1.8 pp -120.96 34.9 5.05 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -1.029 . . . . 10.0 110.305 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -57.2 -35.1 69.21 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.459 -0.775 . . . . 10.0 110.442 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -59.15 -33.89 71.43 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.464 -0.773 . . . . 10.0 109.904 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.527 -0.733 . . . . 10.0 109.305 179.044 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.501 2.125 0 CA-C-O 121.271 0.558 . . . . 10.0 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -108.94 -48.97 3.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.325 -0.859 . . . . 10.0 110.004 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.3 -47.23 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.482 -0.761 . . . . 10.0 110.017 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.14 -37.91 89.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.602 -0.686 . . . . 10.0 109.969 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.64 -42.13 92.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.815 -0.553 . . . . 10.0 110.092 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.36 -35.2 73.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.542 -0.723 . . . . 10.0 110.123 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.6 mm -61.38 -41.66 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.488 -0.757 . . . . 10.0 109.719 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -71.52 -25.07 62.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 10.0 110.023 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -58.26 -28.67 65.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.256 -0.903 . . . . 10.0 109.354 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -72.63 -21.38 61.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.558 -0.714 . . . . 10.0 110.386 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -58.13 -52.92 63.55 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.375 -0.828 . . . . 10.0 110.112 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -78.61 -17.4 56.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.75 . . . . 10.0 110.733 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 6.9 mm100 -66.03 -40.87 91.39 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.359 -0.838 . . . . 10.0 109.781 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.9 mm -81.88 -27.6 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.513 -0.742 . . . . 10.0 110.142 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -79.14 -29.67 43.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.351 -0.843 . . . . 10.0 110.768 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 tpt180 -111.36 -52.02 2.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 10.0 110.0 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -53.56 33.64 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.673 -1.371 . . . . 10.0 109.673 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.81 50.07 1.75 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -1.08 . . . . 10.0 110.09 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 -54.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.41 -0.806 . . . . 10.0 109.721 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -74.61 -45.09 47.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.436 -0.79 . . . . 10.0 109.368 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.639 -0.663 . . . . 10.0 109.432 179.165 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.613 0.244 . . . . 10.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -105.39 -52.43 2.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.143 -0.973 . . . . 10.0 110.274 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.25 -43.5 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.516 -0.74 . . . . 10.0 110.251 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.13 -44.06 92.01 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.635 -0.666 . . . . 10.0 110.261 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -39.08 88.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.784 -0.573 . . . . 10.0 110.377 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mp -69.26 -36.25 76.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.538 -0.727 . . . . 10.0 110.39 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 9' ' ' ILE . 16.8 mm -60.89 -50.34 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 10.0 109.958 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 8.1 t80 -70.41 -23.77 62.81 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.46 -0.896 . . . . 10.0 110.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -35.53 68.1 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -74.83 -32.07 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.731 -0.606 . . . . 10.0 109.564 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.42 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 37.9 t60 -58.38 -40.73 83.1 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.717 -0.615 . . . . 10.0 110.018 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -27.28 34.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.456 -0.778 . . . . 10.0 110.434 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -38.21 90.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.283 -0.886 . . . . 10.0 109.753 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.49 -15.5 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.442 -0.786 . . . . 10.0 110.226 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.97 -54.73 3.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.252 -0.905 . . . . 10.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -98.53 -35.24 10.3 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.565 -0.71 . . . . 10.0 110.746 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -21.01 65.44 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 110.486 -1.046 . . . . 10.0 110.486 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -16.07 50.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.264 -1.139 . . . . 10.0 111.641 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -47.35 -33.5 5.88 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.487 -0.758 . . . . 10.0 111.58 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -50.03 73.05 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.269 -0.894 . . . . 10.0 110.209 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 N--CA 1.498 1.943 0 O-C-N 121.533 -0.729 . . . . 10.0 109.345 179.094 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 N--CA 1.503 2.183 0 CA-C-O 121.3 0.571 . . . . 10.0 110.564 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -160.78 -65.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.355 -0.841 . . . . 10.0 110.301 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.59 -43.29 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.315 -0.866 . . . . 10.0 110.034 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.34 -36.5 83.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.772 -0.58 . . . . 10.0 109.763 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.78 -41.43 95.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.702 -0.624 . . . . 10.0 109.976 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.74 -35.56 78.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.584 -0.697 . . . . 10.0 109.856 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.0 mm -71.61 -33.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.478 -0.764 . . . . 10.0 109.631 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 23.0 t80 -74.7 -23.88 58.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.891 . . . . 10.0 110.179 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -56.07 -33.8 65.36 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 10.0 108.663 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -31.59 65.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.781 -0.575 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 32.0 t60 -58.77 -39.16 80.22 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.661 -0.649 . . . . 10.0 110.12 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -84.53 -25.8 28.52 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.376 -0.828 . . . . 10.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.52 91.83 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.432 -0.792 . . . . 10.0 109.752 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.3 mm -71.89 -26.81 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.466 -0.771 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.622 ' HA ' ' HB2' ' A' ' 22' ' ' LYS . 2.1 t30 -57.72 -63.14 1.34 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.482 -0.761 . . . . 10.0 110.368 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -87.61 -16.47 34.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.244 -0.91 . . . . 10.0 110.77 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.66 -74.02 0.44 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.79 55.07 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.269 -1.136 . . . . 10.0 111.244 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -150.45 -57.27 0.17 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.076 -1.015 . . . . 10.0 110.469 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -72.71 -46.6 52.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.287 -0.883 . . . . 10.0 109.863 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 N--CA 1.498 1.96 0 O-C-N 121.6 -0.687 . . . . 10.0 109.356 179.18 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.033 0.445 . . . . 10.0 110.079 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -156.17 -69.91 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.538 -0.726 . . . . 10.0 109.193 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.5 -45.42 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.411 -0.806 . . . . 10.0 109.125 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -76.13 -8.39 56.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.778 -0.576 . . . . 10.0 110.336 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -93.88 -45.48 7.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.474 -0.766 . . . . 10.0 109.822 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -23.7 62.21 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.658 -0.651 . . . . 10.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 tp -59.93 -36.6 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.18 -0.95 . . . . 10.0 110.065 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -79.3 -23.12 43.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -0.913 . . . . 10.0 109.708 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -55.91 -36.76 68.05 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.38 -38.12 86.84 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.812 -0.555 . . . . 10.0 109.718 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -36.67 84.98 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.533 -0.729 . . . . 10.0 109.818 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -40.1 96.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.742 -0.599 . . . . 10.0 109.511 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mm -70.61 -31.99 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.594 -0.691 . . . . 10.0 109.692 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -63.65 -39.84 95.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.705 -0.622 . . . . 10.0 110.245 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -22.38 46.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.343 -0.848 . . . . 10.0 110.643 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.44 93.63 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.12 43.53 1.12 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.292 -1.122 . . . . 10.0 110.115 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -138.09 -52.68 0.62 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.417 -0.802 . . . . 10.0 110.07 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -69.63 -44.96 69.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.296 -0.878 . . . . 10.0 110.098 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG23 HD12 ' A' ' 23' ' ' ILE . 43.4 mm . . . . . 0 N--CA 1.497 1.885 0 O-C-N 121.446 -0.784 . . . . 10.0 110.075 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.501 2.119 0 CA-C-O 121.089 0.471 . . . . 10.0 110.803 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -127.84 -55.72 1.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.278 -0.889 . . . . 10.0 110.728 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.79 -53.91 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.333 -0.854 . . . . 10.0 109.988 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -62.19 -30.54 71.14 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.683 -0.636 . . . . 10.0 110.038 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.73 -42.48 93.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.805 -0.56 . . . . 10.0 109.66 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.45 -31.3 60.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.653 -0.655 . . . . 10.0 110.206 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -59.2 -49.23 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.463 -0.773 . . . . 10.0 110.083 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.4 -24.66 62.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.242 -0.911 . . . . 10.0 110.372 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 t -55.64 -35.6 66.11 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.284 -0.885 . . . . 10.0 108.623 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -58.75 -43.27 90.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.854 -0.529 . . . . 10.0 110.131 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.25 -33.66 74.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.532 -0.73 . . . . 10.0 110.439 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -64.24 -45.87 86.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.575 -0.703 . . . . 10.0 109.477 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.431 ' HA ' HD13 ' A' ' 16' ' ' ILE . 24.3 mm -70.14 -29.82 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.725 -0.609 . . . . 10.0 110.447 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.17 -44.79 94.76 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.85 . . . . 10.0 110.702 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -91.11 -21.05 21.39 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.257 -0.902 . . . . 10.0 110.747 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.14 -34.55 26.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.413 -1.075 . . . . 10.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.01 42.61 1.17 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.14 -1.212 . . . . 10.0 111.02 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -114.51 -24.91 8.58 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.172 -0.955 . . . . 10.0 110.775 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -82.6 -47.1 12.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.233 -0.917 . . . . 10.0 109.843 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 10.0 109.988 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 121.08 0.467 . . . . 10.0 110.38 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.89 77.91 0.97 Allowed Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.64 -1.384 . . . . 10.0 109.64 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.58 41.27 32.12 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.779 -0.836 . . . . 10.0 110.604 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.489 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 35.8 t80 -113.04 165.73 12.08 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.365 -0.835 . . . . 10.0 110.474 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 14.3 t 72.77 -10.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 121.975 -0.453 . . . . 10.0 111.633 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tp -101.17 -47.32 4.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.094 -1.004 . . . . 10.0 109.514 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.15 -34.68 78.96 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.841 -0.537 . . . . 10.0 110.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.22 -40.25 95.65 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.416 -0.803 . . . . 10.0 110.09 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 mm -68.19 -34.42 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.56 -0.712 . . . . 10.0 109.859 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -73.59 -24.52 60.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.21 -0.931 . . . . 10.0 110.109 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.6 t -55.35 -35.56 65.35 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -32.82 34.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -54.58 -44.08 72.69 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.919 -0.488 . . . . 10.0 110.658 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -38.29 83.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.424 -0.797 . . . . 10.0 110.21 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -37.97 78.46 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.686 -0.634 . . . . 10.0 109.758 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.8 mt -74.74 -39.14 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.444 -0.785 . . . . 10.0 109.615 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -66.83 -48.67 68.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.679 -0.638 . . . . 10.0 110.512 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.17 61.47 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.767 . . . . 10.0 110.358 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.38 -41.31 91.21 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.438 -1.465 . . . . 10.0 109.438 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.16 51.03 1.09 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.445 -1.032 . . . . 10.0 109.695 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.24 -55.66 0.59 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 10.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HG3' HG13 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -70.42 -33.77 71.73 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.309 -0.869 . . . . 10.0 110.552 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG13 ' HG3' ' A' ' 22' ' ' LYS . 59.1 mt -90.93 -37.59 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 10.0 109.359 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -72.0 -48.15 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.565 -0.709 . . . . 10.0 110.165 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.77 6.24 39.74 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.415 -0.803 . . . . 10.0 110.883 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.52 -7.69 44.96 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.489 -1.044 . . . . 10.0 110.489 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -124.84 57.63 1.27 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.042 -1.269 . . . . 10.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 118.306 -0.854 . . . . 10.0 110.395 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 121.42 0.629 . . . . 10.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.19 46.49 27.14 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.905 -1.278 . . . . 10.0 109.905 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -156.07 34.12 0.34 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.425 -1.044 . . . . 10.0 110.626 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -71.79 -46.05 59.54 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.239 -0.913 . . . . 10.0 110.352 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.91 -35.01 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.384 -0.823 . . . . 10.0 110.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.73 -43.48 88.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.535 -0.728 . . . . 10.0 110.565 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -36.8 76.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.569 -0.707 . . . . 10.0 110.698 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.14 -39.46 94.08 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.41 -0.806 . . . . 10.0 110.251 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.95 -38.39 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.463 -0.773 . . . . 10.0 110.16 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.437 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 38.4 t80 -73.17 -24.48 60.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 10.0 110.341 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -55.11 -41.16 71.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.199 -0.938 . . . . 10.0 108.534 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.72 -33.24 75.2 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.771 -0.581 . . . . 10.0 109.929 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 45.0 t60 -60.66 -46.11 91.55 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.688 -0.633 . . . . 10.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -77.52 -30.35 52.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.332 -0.855 . . . . 10.0 110.307 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -32.98 69.03 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.654 -0.654 . . . . 10.0 110.093 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 16' ' ' ILE . 38.3 mm -98.33 -42.05 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.445 -0.784 . . . . 10.0 110.023 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -54.62 -39.61 68.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.506 -0.746 . . . . 10.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -106.56 -13.25 15.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.615 -0.678 . . . . 10.0 110.709 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.68 50.82 4.38 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.33 88.26 0.07 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.736 -0.861 . . . . 10.0 111.567 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.91 -54.71 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.487 -0.758 . . . . 10.0 109.721 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -66.52 -44.44 82.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.711 . . . . 10.0 110.029 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.4 mt -77.34 -28.35 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.439 -0.788 . . . . 10.0 109.739 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.35 -50.34 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.489 -0.757 . . . . 10.0 110.445 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.15 -24.63 65.02 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.252 -0.905 . . . . 10.0 110.547 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.93 -31.93 59.43 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.439 -1.464 . . . . 10.0 109.439 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -44.92 23.48 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.633 -0.922 . . . . 10.0 110.211 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.113 0 CA-C-O 118.467 -0.777 . . . . 10.0 110.784 -179.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.137 0.494 . . . . 10.0 110.419 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.446 ' HA3' HD13 ' A' ' 6' ' ' LEU . . . 68.84 49.59 41.24 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.058 -1.217 . . . . 10.0 110.058 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 t30 56.23 34.59 24.27 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.659 -0.907 . . . . 10.0 111.35 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.516 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 47.6 t80 60.86 173.02 0.1 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.501 -0.749 . . . . 10.0 111.241 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 23.9 t 72.75 -8.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.503 0 O-C-N 121.77 -0.581 . . . . 10.0 111.854 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.446 HD13 ' HA3' ' A' ' 2' ' ' GLY . 6.0 mt -97.15 -43.9 7.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.96 -1.088 . . . . 10.0 110.033 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.8 -36.89 70.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.717 -0.614 . . . . 10.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -43.15 84.78 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.304 -0.873 . . . . 10.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.09 -44.49 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.319 -0.863 . . . . 10.0 110.408 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -69.75 -23.78 63.43 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 10.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -55.74 -35.79 66.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.202 -0.936 . . . . 10.0 108.519 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.7 -33.56 46.79 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -56.22 -45.38 79.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.638 -0.664 . . . . 10.0 110.158 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -63.71 -39.3 93.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.567 -0.708 . . . . 10.0 110.117 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -41.55 95.42 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.769 -0.582 . . . . 10.0 109.815 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mm -70.38 -32.08 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 10.0 109.985 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.14 -43.37 95.77 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.623 -0.673 . . . . 10.0 110.364 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -32.14 20.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.391 -0.818 . . . . 10.0 110.381 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 -30.59 70.75 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.018 -1.233 . . . . 10.0 110.018 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.15 51.75 2.33 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -1.067 . . . . 10.0 110.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -131.78 -46.96 0.95 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.203 -0.936 . . . . 10.0 110.092 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 23' ' ' ILE . 3.6 ptpp? -72.52 -33.43 66.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.58 -0.7 . . . . 10.0 110.479 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 ' HG3' ' A' ' 22' ' ' LYS . 5.4 mt -83.31 -41.08 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.267 -0.896 . . . . 10.0 109.442 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 t -61.11 -35.24 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.844 -0.535 . . . . 10.0 110.284 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.06 -36.98 85.76 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.37 -0.831 . . . . 10.0 110.466 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.2 44.85 1.84 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.632 -1.387 . . . . 10.0 109.632 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -113.21 49.86 0.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.371 -1.076 . . . . 10.0 110.1 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 117.875 -1.059 . . . . 10.0 110.443 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.3 p . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 121.108 0.48 . . . . 10.0 110.47 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.88 -60.9 0.31 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.47 -1.452 . . . . 10.0 109.47 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 52.19 62.33 2.75 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.705 -0.879 . . . . 10.0 110.219 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.514 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 49.9 t80 -86.88 167.99 13.83 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.386 -0.821 . . . . 10.0 110.413 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.514 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 19.1 t 75.58 -21.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 O-C-N 122.013 -0.429 . . . . 10.0 111.721 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' HG21 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -88.11 -43.11 11.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.917 -1.115 . . . . 10.0 109.918 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.16 -41.79 76.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.647 -0.658 . . . . 10.0 109.905 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.2 -33.36 75.22 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.561 -0.712 . . . . 10.0 111.218 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.451 HG21 ' O ' ' A' ' 6' ' ' LEU . 2.8 tp -63.49 -32.89 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.137 -0.977 . . . . 10.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -84.64 -22.33 29.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.127 -0.983 . . . . 10.0 110.015 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.2 t -58.02 -38.93 77.1 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.039 -1.097 . . . . 10.0 108.039 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -30.63 43.69 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -59.35 -44.07 92.71 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.672 -0.643 . . . . 10.0 110.076 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -27.31 62.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.498 -0.752 . . . . 10.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.42 -40.89 93.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.372 -0.83 . . . . 10.0 110.192 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.492 ' HA ' HD22 ' A' ' 20' ' ' LEU . 62.0 mt -81.2 -22.21 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.355 -0.84 . . . . 10.0 110.809 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -37.14 13.12 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.149 -0.969 . . . . 10.0 110.846 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.93 -31.26 3.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.905 . . . . 10.0 111.626 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.73 93.5 Favored Glycine 0 N--CA 1.499 2.87 0 N-CA-C 109.809 -1.316 . . . . 10.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 16' ' ' ILE . 1.8 pp -120.96 34.9 5.05 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -1.029 . . . . 10.0 110.305 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -57.2 -35.1 69.21 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.459 -0.775 . . . . 10.0 110.442 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -59.15 -33.89 71.43 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.464 -0.773 . . . . 10.0 109.904 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mt -86.9 -36.59 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.527 -0.733 . . . . 10.0 109.305 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -37.92 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.621 -0.675 . . . . 10.0 109.933 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.93 -26.25 68.51 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.458 -0.776 . . . . 10.0 110.506 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.61 -20.92 77.6 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.206 -1.158 . . . . 10.0 110.206 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -105.83 46.34 0.93 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.168 -1.195 . . . . 10.0 110.327 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 117.901 -1.047 . . . . 10.0 110.405 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 121.096 0.474 . . . . 10.0 110.161 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.29 33.78 88.15 Favored Glycine 0 N--CA 1.496 2.666 0 N-CA-C 110.161 -1.176 . . . . 10.0 110.161 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.81 54.0 11.68 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.563 -0.963 . . . . 10.0 110.848 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -108.94 -48.97 3.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.325 -0.859 . . . . 10.0 110.004 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.3 -47.23 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.482 -0.761 . . . . 10.0 110.017 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.14 -37.91 89.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.602 -0.686 . . . . 10.0 109.969 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.64 -42.13 92.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.815 -0.553 . . . . 10.0 110.092 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.36 -35.2 73.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.542 -0.723 . . . . 10.0 110.123 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.6 mm -61.38 -41.66 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.488 -0.757 . . . . 10.0 109.719 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -71.52 -25.07 62.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 10.0 110.023 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -58.26 -28.67 65.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.256 -0.903 . . . . 10.0 109.354 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -72.63 -21.38 61.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.558 -0.714 . . . . 10.0 110.386 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -58.13 -52.92 63.55 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.375 -0.828 . . . . 10.0 110.112 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -78.61 -17.4 56.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.75 . . . . 10.0 110.733 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 6.9 mm100 -66.03 -40.87 91.39 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.359 -0.838 . . . . 10.0 109.781 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.9 mm -81.88 -27.6 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.513 -0.742 . . . . 10.0 110.142 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -79.14 -29.67 43.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.351 -0.843 . . . . 10.0 110.768 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 tpt180 -111.36 -52.02 2.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 10.0 110.0 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -53.56 33.64 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.673 -1.371 . . . . 10.0 109.673 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.81 50.07 1.75 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -1.08 . . . . 10.0 110.09 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 -54.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.41 -0.806 . . . . 10.0 109.721 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -74.61 -45.09 47.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.436 -0.79 . . . . 10.0 109.368 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.59 -38.26 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.639 -0.663 . . . . 10.0 109.432 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.1 t -64.68 -37.07 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.611 -0.68 . . . . 10.0 109.844 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.5 tp -66.6 -33.36 75.5 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.496 -0.752 . . . . 10.0 110.354 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.81 -60.63 3.11 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.628 -1.389 . . . . 10.0 109.628 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 55.49 37.55 29.04 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.637 -0.919 . . . . 10.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.122 -0.942 . . . . 10.0 110.503 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 121.216 0.532 . . . . 10.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.418 ' HA2' HD13 ' A' ' 6' ' ' LEU . . . 77.28 79.84 0.68 Allowed Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.125 -1.59 . . . . 10.0 109.125 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -159.83 -40.79 0.05 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.488 -1.007 . . . . 10.0 111.184 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -105.39 -52.43 2.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.143 -0.973 . . . . 10.0 110.274 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.25 -43.5 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.516 -0.74 . . . . 10.0 110.251 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 HD13 ' HA2' ' A' ' 2' ' ' GLY . 6.9 mp -59.13 -44.06 92.01 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.635 -0.666 . . . . 10.0 110.261 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -39.08 88.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.784 -0.573 . . . . 10.0 110.377 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mp -69.26 -36.25 76.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.538 -0.727 . . . . 10.0 110.39 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 9' ' ' ILE . 16.8 mm -60.89 -50.34 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 10.0 109.958 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 8.1 t80 -70.41 -23.77 62.81 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.46 -0.896 . . . . 10.0 110.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -35.53 68.1 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -74.83 -32.07 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.731 -0.606 . . . . 10.0 109.564 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.42 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 37.9 t60 -58.38 -40.73 83.1 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.717 -0.615 . . . . 10.0 110.018 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -27.28 34.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.456 -0.778 . . . . 10.0 110.434 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -38.21 90.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.283 -0.886 . . . . 10.0 109.753 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.49 -15.5 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.442 -0.786 . . . . 10.0 110.226 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.97 -54.73 3.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.252 -0.905 . . . . 10.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -98.53 -35.24 10.3 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.565 -0.71 . . . . 10.0 110.746 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -21.01 65.44 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 110.486 -1.046 . . . . 10.0 110.486 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -16.07 50.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.264 -1.139 . . . . 10.0 111.641 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.515 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 16.0 mtpt -47.35 -33.5 5.88 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.487 -0.758 . . . . 10.0 111.58 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -50.03 73.05 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.269 -0.894 . . . . 10.0 110.209 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.6 mt -78.32 -35.51 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.533 -0.729 . . . . 10.0 109.345 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 21' ' ' LYS . 48.5 t -61.01 -46.81 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.604 -0.685 . . . . 10.0 110.004 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 tp -66.3 -33.59 76.07 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.6 -0.687 . . . . 10.0 110.24 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.31 -29.86 72.53 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.856 -1.298 . . . . 10.0 109.856 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -91.37 -47.7 7.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.38 -1.07 . . . . 10.0 110.004 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 117.962 -1.018 . . . . 10.0 110.26 179.807 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.5 p . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 121.095 0.474 . . . . 10.0 110.438 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.94 73.65 0.23 Allowed Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.571 -1.412 . . . . 10.0 109.571 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 49.8 56.43 7.88 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.789 -0.83 . . . . 10.0 110.564 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -160.78 -65.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.355 -0.841 . . . . 10.0 110.301 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.59 -43.29 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.315 -0.866 . . . . 10.0 110.034 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.34 -36.5 83.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.772 -0.58 . . . . 10.0 109.763 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.78 -41.43 95.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.702 -0.624 . . . . 10.0 109.976 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.74 -35.56 78.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.584 -0.697 . . . . 10.0 109.856 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.0 mm -71.61 -33.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.478 -0.764 . . . . 10.0 109.631 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 23.0 t80 -74.7 -23.88 58.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.891 . . . . 10.0 110.179 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -56.07 -33.8 65.36 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 10.0 108.663 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -31.59 65.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.781 -0.575 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 32.0 t60 -58.77 -39.16 80.22 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.661 -0.649 . . . . 10.0 110.12 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -84.53 -25.8 28.52 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.376 -0.828 . . . . 10.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.52 91.83 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.432 -0.792 . . . . 10.0 109.752 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.3 mm -71.89 -26.81 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.466 -0.771 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.622 ' HA ' ' HB2' ' A' ' 22' ' ' LYS . 2.1 t30 -57.72 -63.14 1.34 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.482 -0.761 . . . . 10.0 110.368 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -87.61 -16.47 34.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.244 -0.91 . . . . 10.0 110.77 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.66 -74.02 0.44 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.79 55.07 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.269 -1.136 . . . . 10.0 111.244 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -150.45 -57.27 0.17 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.076 -1.015 . . . . 10.0 110.469 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -72.71 -46.6 52.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.287 -0.883 . . . . 10.0 109.863 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.65 -35.48 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.6 -0.687 . . . . 10.0 109.356 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.09 -43.64 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.571 -0.706 . . . . 10.0 109.574 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.91 -34.81 79.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.655 -0.653 . . . . 10.0 110.182 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.96 -32.12 69.94 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 109.548 -1.421 . . . . 10.0 109.548 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -85.21 -51.04 6.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.98 . . . . 10.0 109.504 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 118.144 -0.932 . . . . 10.0 110.206 179.566 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 120.899 0.381 . . . . 10.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.7 58.86 8.39 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.751 -1.34 . . . . 10.0 109.751 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -136.35 -74.4 0.44 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.505 -0.997 . . . . 10.0 110.079 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -156.17 -69.91 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.538 -0.726 . . . . 10.0 109.193 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.5 -45.42 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.411 -0.806 . . . . 10.0 109.125 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -76.13 -8.39 56.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.778 -0.576 . . . . 10.0 110.336 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -93.88 -45.48 7.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.474 -0.766 . . . . 10.0 109.822 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -23.7 62.21 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.658 -0.651 . . . . 10.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 tp -59.93 -36.6 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.18 -0.95 . . . . 10.0 110.065 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -79.3 -23.12 43.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -0.913 . . . . 10.0 109.708 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -55.91 -36.76 68.05 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.38 -38.12 86.84 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.812 -0.555 . . . . 10.0 109.718 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -36.67 84.98 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.533 -0.729 . . . . 10.0 109.818 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -40.1 96.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.742 -0.599 . . . . 10.0 109.511 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mm -70.61 -31.99 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.594 -0.691 . . . . 10.0 109.692 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -63.65 -39.84 95.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.705 -0.622 . . . . 10.0 110.245 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -22.38 46.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.343 -0.848 . . . . 10.0 110.643 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.44 93.63 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.12 43.53 1.12 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.292 -1.122 . . . . 10.0 110.115 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -138.09 -52.68 0.62 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.417 -0.802 . . . . 10.0 110.07 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -69.63 -44.96 69.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.296 -0.878 . . . . 10.0 110.098 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG23 HD12 ' A' ' 23' ' ' ILE . 43.4 mm -79.99 -37.26 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.446 -0.784 . . . . 10.0 110.075 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.6 t -66.45 -39.87 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.419 -0.8 . . . . 10.0 110.287 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tp -90.12 -24.7 21.02 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.452 -0.78 . . . . 10.0 110.757 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.11 68.91 0.5 Allowed Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.618 -1.393 . . . . 10.0 109.618 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -72.99 -25.07 60.86 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.592 -0.946 . . . . 10.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.948 -1.025 . . . . 10.0 110.165 179.773 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 120.922 0.391 . . . . 10.0 110.699 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.36 33.41 70.83 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.899 -1.28 . . . . 10.0 109.899 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 51.86 44.52 29.32 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.652 -0.91 . . . . 10.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -127.84 -55.72 1.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.278 -0.889 . . . . 10.0 110.728 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.79 -53.91 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.333 -0.854 . . . . 10.0 109.988 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -62.19 -30.54 71.14 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.683 -0.636 . . . . 10.0 110.038 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.73 -42.48 93.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.805 -0.56 . . . . 10.0 109.66 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.45 -31.3 60.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.653 -0.655 . . . . 10.0 110.206 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -59.2 -49.23 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.463 -0.773 . . . . 10.0 110.083 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.4 -24.66 62.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.242 -0.911 . . . . 10.0 110.372 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 t -55.64 -35.6 66.11 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.284 -0.885 . . . . 10.0 108.623 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -58.75 -43.27 90.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.854 -0.529 . . . . 10.0 110.131 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.25 -33.66 74.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.532 -0.73 . . . . 10.0 110.439 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -64.24 -45.87 86.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.575 -0.703 . . . . 10.0 109.477 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.431 ' HA ' HD13 ' A' ' 16' ' ' ILE . 24.3 mm -70.14 -29.82 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.725 -0.609 . . . . 10.0 110.447 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.17 -44.79 94.76 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.85 . . . . 10.0 110.702 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -91.11 -21.05 21.39 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.257 -0.902 . . . . 10.0 110.747 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.14 -34.55 26.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.413 -1.075 . . . . 10.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.01 42.61 1.17 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.14 -1.212 . . . . 10.0 111.02 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . 1.7 tptt -114.51 -24.91 8.58 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.172 -0.955 . . . . 10.0 110.775 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -82.6 -47.1 12.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.233 -0.917 . . . . 10.0 109.843 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt -62.91 -44.87 99.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 10.0 109.988 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 21' ' ' LYS . 11.9 m -59.44 -42.1 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.519 -0.738 . . . . 10.0 110.584 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.53 -39.58 88.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.497 -0.752 . . . . 10.0 110.164 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.22 -33.54 87.15 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.591 -1.403 . . . . 10.0 109.591 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -80.14 -46.78 15.82 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -1.036 . . . . 10.0 109.843 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 118.321 -0.847 . . . . 10.0 109.933 179.726 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.502 2.13 0 CA-C-O 121.137 0.494 . . . . 10.0 110.604 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.502 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 35.8 t80 -113.04 165.73 12.08 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.365 -0.835 . . . . 10.0 110.474 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 14.3 t 72.77 -10.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 121.975 -0.453 . . . . 10.0 111.633 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tp -101.17 -47.32 4.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.094 -1.004 . . . . 10.0 109.514 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.15 -34.68 78.96 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.841 -0.537 . . . . 10.0 110.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 8' ' ' LEU . 3.3 mm? -64.22 -40.25 95.65 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.416 -0.803 . . . . 10.0 110.09 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 mm -68.19 -34.42 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.56 -0.712 . . . . 10.0 109.859 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -73.59 -24.52 60.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.21 -0.931 . . . . 10.0 110.109 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.6 t -55.35 -35.56 65.35 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -32.82 34.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -54.58 -44.08 72.69 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.919 -0.488 . . . . 10.0 110.658 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -38.29 83.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.424 -0.797 . . . . 10.0 110.21 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -37.97 78.46 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.686 -0.634 . . . . 10.0 109.758 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.8 mt -74.74 -39.14 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.444 -0.785 . . . . 10.0 109.615 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -66.83 -48.67 68.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.679 -0.638 . . . . 10.0 110.512 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.17 61.47 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.767 . . . . 10.0 110.358 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.38 -41.31 91.21 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.438 -1.465 . . . . 10.0 109.438 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.16 51.03 1.09 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.445 -1.032 . . . . 10.0 109.695 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.24 -55.66 0.59 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 10.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HG3' HG13 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -70.42 -33.77 71.73 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.309 -0.869 . . . . 10.0 110.552 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.508 HG13 ' HG3' ' A' ' 22' ' ' LYS . 59.1 mt . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 10.0 109.359 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 120.993 0.425 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.46 ' O ' HD23 ' A' ' 8' ' ' LEU . 29.1 t80 -71.79 -46.05 59.54 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.239 -0.913 . . . . 10.0 110.352 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.91 -35.01 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.384 -0.823 . . . . 10.0 110.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.73 -43.48 88.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.535 -0.728 . . . . 10.0 110.565 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -36.8 76.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.569 -0.707 . . . . 10.0 110.698 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 4' ' ' TYR . 2.6 mm? -64.14 -39.46 94.08 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.41 -0.806 . . . . 10.0 110.251 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.95 -38.39 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.463 -0.773 . . . . 10.0 110.16 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 38.4 t80 -73.17 -24.48 60.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 10.0 110.341 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -55.11 -41.16 71.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.199 -0.938 . . . . 10.0 108.534 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.72 -33.24 75.2 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.771 -0.581 . . . . 10.0 109.929 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 45.0 t60 -60.66 -46.11 91.55 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.688 -0.633 . . . . 10.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -77.52 -30.35 52.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.332 -0.855 . . . . 10.0 110.307 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -32.98 69.03 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.654 -0.654 . . . . 10.0 110.093 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.33 -42.05 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.445 -0.784 . . . . 10.0 110.023 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -54.62 -39.61 68.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.506 -0.746 . . . . 10.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -106.56 -13.25 15.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.615 -0.678 . . . . 10.0 110.709 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.68 50.82 4.38 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.33 88.26 0.07 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.736 -0.861 . . . . 10.0 111.567 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.91 -54.71 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.487 -0.758 . . . . 10.0 109.721 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -66.52 -44.44 82.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.711 . . . . 10.0 110.029 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.496 1.858 0 O-C-N 121.439 -0.788 . . . . 10.0 109.739 179.196 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 4' ' ' TYR . 1.4 t30 . . . . . 0 N--CA 1.502 2.171 0 CA-C-O 120.701 0.286 . . . . 10.0 111.35 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.531 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 47.6 t80 60.86 173.02 0.1 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.501 -0.749 . . . . 10.0 111.241 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 23.9 t 72.75 -8.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.503 0 O-C-N 121.77 -0.581 . . . . 10.0 111.854 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -97.15 -43.9 7.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.96 -1.088 . . . . 10.0 110.033 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.8 -36.89 70.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.717 -0.614 . . . . 10.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -43.15 84.78 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.304 -0.873 . . . . 10.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.09 -44.49 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.319 -0.863 . . . . 10.0 110.408 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -69.75 -23.78 63.43 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 10.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -55.74 -35.79 66.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.202 -0.936 . . . . 10.0 108.519 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.7 -33.56 46.79 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -56.22 -45.38 79.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.638 -0.664 . . . . 10.0 110.158 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -63.71 -39.3 93.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.567 -0.708 . . . . 10.0 110.117 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -41.55 95.42 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.769 -0.582 . . . . 10.0 109.815 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mm -70.38 -32.08 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 10.0 109.985 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.14 -43.37 95.77 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.623 -0.673 . . . . 10.0 110.364 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -32.14 20.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.391 -0.818 . . . . 10.0 110.381 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 -30.59 70.75 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.018 -1.233 . . . . 10.0 110.018 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.15 51.75 2.33 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -1.067 . . . . 10.0 110.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -131.78 -46.96 0.95 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.203 -0.936 . . . . 10.0 110.092 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HG3' HG13 ' A' ' 23' ' ' ILE . 3.6 ptpp? -72.52 -33.43 66.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.58 -0.7 . . . . 10.0 110.479 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.463 HG13 ' HG3' ' A' ' 22' ' ' LYS . 5.4 mt . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.267 -0.896 . . . . 10.0 109.442 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 121.325 0.583 . . . . 10.0 110.219 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.532 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 49.9 t80 -86.88 167.99 13.83 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.386 -0.821 . . . . 10.0 110.413 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 19.1 t 75.58 -21.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 O-C-N 122.013 -0.429 . . . . 10.0 111.721 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -88.11 -43.11 11.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.917 -1.115 . . . . 10.0 109.918 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.16 -41.79 76.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.647 -0.658 . . . . 10.0 109.905 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.2 -33.36 75.22 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.561 -0.712 . . . . 10.0 111.218 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 6' ' ' LEU . 2.8 tp -63.49 -32.89 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.137 -0.977 . . . . 10.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' HA ' ' CB ' ' A' ' 13' ' ' HIS . 2.1 t80 -84.64 -22.33 29.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.127 -0.983 . . . . 10.0 110.015 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.2 t -58.02 -38.93 77.1 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.039 -1.097 . . . . 10.0 108.039 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -79.15 -30.63 43.69 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.423 ' CB ' ' HA ' ' A' ' 10' ' ' TYR . 12.4 t60 -59.35 -44.07 92.71 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.672 -0.643 . . . . 10.0 110.076 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -27.31 62.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.498 -0.752 . . . . 10.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' HD22 ' A' ' 12' ' ' LEU . 22.0 mt-30 -65.42 -40.89 93.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.372 -0.83 . . . . 10.0 110.192 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.556 ' HA ' HD21 ' A' ' 20' ' ' LEU . 62.0 mt -81.2 -22.21 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.355 -0.84 . . . . 10.0 110.809 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -37.14 13.12 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.149 -0.969 . . . . 10.0 110.846 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -123.93 -31.26 3.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.905 . . . . 10.0 111.626 -178.729 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.73 93.5 Favored Glycine 0 N--CA 1.499 2.87 0 N-CA-C 109.809 -1.316 . . . . 10.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 16' ' ' ILE . 1.8 pp -120.96 34.9 5.05 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -1.029 . . . . 10.0 110.305 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 11.9 tttt -57.2 -35.1 69.21 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.459 -0.775 . . . . 10.0 110.442 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -59.15 -33.89 71.43 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.464 -0.773 . . . . 10.0 109.904 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.527 -0.733 . . . . 10.0 109.305 179.044 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.501 2.125 0 CA-C-O 121.271 0.558 . . . . 10.0 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -108.94 -48.97 3.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.325 -0.859 . . . . 10.0 110.004 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.3 -47.23 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.482 -0.761 . . . . 10.0 110.017 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.14 -37.91 89.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.602 -0.686 . . . . 10.0 109.969 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.64 -42.13 92.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.815 -0.553 . . . . 10.0 110.092 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.36 -35.2 73.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.542 -0.723 . . . . 10.0 110.123 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.6 mm -61.38 -41.66 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.488 -0.757 . . . . 10.0 109.719 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 48.8 t80 -71.52 -25.07 62.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 10.0 110.023 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -58.26 -28.67 65.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.256 -0.903 . . . . 10.0 109.354 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -72.63 -21.38 61.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.558 -0.714 . . . . 10.0 110.386 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 10.1 t-160 -58.13 -52.92 63.55 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.375 -0.828 . . . . 10.0 110.112 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -78.61 -17.4 56.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.75 . . . . 10.0 110.733 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.515 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 6.9 mm100 -66.03 -40.87 91.39 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.359 -0.838 . . . . 10.0 109.781 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.9 mm -81.88 -27.6 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.513 -0.742 . . . . 10.0 110.142 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -79.14 -29.67 43.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.351 -0.843 . . . . 10.0 110.768 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 tpt180 -111.36 -52.02 2.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 10.0 110.0 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -53.56 33.64 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.673 -1.371 . . . . 10.0 109.673 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.81 50.07 1.75 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -1.08 . . . . 10.0 110.09 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 -54.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.41 -0.806 . . . . 10.0 109.721 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -74.61 -45.09 47.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.436 -0.79 . . . . 10.0 109.368 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.639 -0.663 . . . . 10.0 109.432 179.165 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.613 0.244 . . . . 10.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -105.39 -52.43 2.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.143 -0.973 . . . . 10.0 110.274 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.25 -43.5 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.516 -0.74 . . . . 10.0 110.251 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.13 -44.06 92.01 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.635 -0.666 . . . . 10.0 110.261 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -39.08 88.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.784 -0.573 . . . . 10.0 110.377 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mp -69.26 -36.25 76.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.538 -0.727 . . . . 10.0 110.39 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.8 mm -60.89 -50.34 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 10.0 109.958 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 8.1 t80 -70.41 -23.77 62.81 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.46 -0.896 . . . . 10.0 110.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -35.53 68.1 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -74.83 -32.07 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.731 -0.606 . . . . 10.0 109.564 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 37.9 t60 -58.38 -40.73 83.1 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.717 -0.615 . . . . 10.0 110.018 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -27.28 34.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.456 -0.778 . . . . 10.0 110.434 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -38.21 90.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.283 -0.886 . . . . 10.0 109.753 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.49 -15.5 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.442 -0.786 . . . . 10.0 110.226 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.97 -54.73 3.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.252 -0.905 . . . . 10.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -98.53 -35.24 10.3 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.565 -0.71 . . . . 10.0 110.746 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -21.01 65.44 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 110.486 -1.046 . . . . 10.0 110.486 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -16.07 50.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.264 -1.139 . . . . 10.0 111.641 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -47.35 -33.5 5.88 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.487 -0.758 . . . . 10.0 111.58 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -50.03 73.05 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.269 -0.894 . . . . 10.0 110.209 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 N--CA 1.498 1.943 0 O-C-N 121.533 -0.729 . . . . 10.0 109.345 179.094 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 N--CA 1.503 2.183 0 CA-C-O 121.3 0.571 . . . . 10.0 110.564 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -160.78 -65.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.355 -0.841 . . . . 10.0 110.301 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.59 -43.29 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.315 -0.866 . . . . 10.0 110.034 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.34 -36.5 83.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.772 -0.58 . . . . 10.0 109.763 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.78 -41.43 95.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.702 -0.624 . . . . 10.0 109.976 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.6 mm? -61.74 -35.56 78.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.584 -0.697 . . . . 10.0 109.856 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.0 mm -71.61 -33.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.478 -0.764 . . . . 10.0 109.631 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 23.0 t80 -74.7 -23.88 58.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.891 . . . . 10.0 110.179 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -56.07 -33.8 65.36 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 10.0 108.663 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -31.59 65.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.781 -0.575 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 32.0 t60 -58.77 -39.16 80.22 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.661 -0.649 . . . . 10.0 110.12 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -84.53 -25.8 28.52 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.376 -0.828 . . . . 10.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.52 91.83 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.432 -0.792 . . . . 10.0 109.752 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.3 mm -71.89 -26.81 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.466 -0.771 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.683 ' HA ' ' HB2' ' A' ' 22' ' ' LYS . 2.1 t30 -57.72 -63.14 1.34 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.482 -0.761 . . . . 10.0 110.368 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 23' ' ' ILE . 13.1 ttp85 -87.61 -16.47 34.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.244 -0.91 . . . . 10.0 110.77 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.66 -74.02 0.44 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.79 55.07 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.269 -1.136 . . . . 10.0 111.244 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -150.45 -57.27 0.17 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.076 -1.015 . . . . 10.0 110.469 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.683 ' HB2' ' HA ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -72.71 -46.6 52.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.287 -0.883 . . . . 10.0 109.863 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 18' ' ' ARG . 50.1 mm . . . . . 0 N--CA 1.498 1.96 0 O-C-N 121.6 -0.687 . . . . 10.0 109.356 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.033 0.445 . . . . 10.0 110.079 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.505 ' HD2' HG23 ' A' ' 5' ' ' VAL . 34.9 t80 -156.17 -69.91 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.538 -0.726 . . . . 10.0 109.193 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.505 HG23 ' HD2' ' A' ' 4' ' ' TYR . 94.6 t -67.5 -45.42 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.411 -0.806 . . . . 10.0 109.125 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -76.13 -8.39 56.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.778 -0.576 . . . . 10.0 110.336 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -93.88 -45.48 7.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.474 -0.766 . . . . 10.0 109.822 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -23.7 62.21 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.658 -0.651 . . . . 10.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 tp -59.93 -36.6 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.18 -0.95 . . . . 10.0 110.065 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -79.3 -23.12 43.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -0.913 . . . . 10.0 109.708 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -55.91 -36.76 68.05 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.38 -38.12 86.84 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.812 -0.555 . . . . 10.0 109.718 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -36.67 84.98 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.533 -0.729 . . . . 10.0 109.818 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -40.1 96.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.742 -0.599 . . . . 10.0 109.511 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mm -70.61 -31.99 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.594 -0.691 . . . . 10.0 109.692 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -63.65 -39.84 95.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.705 -0.622 . . . . 10.0 110.245 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -22.38 46.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.343 -0.848 . . . . 10.0 110.643 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.44 93.63 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.12 43.53 1.12 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.292 -1.122 . . . . 10.0 110.115 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -138.09 -52.68 0.62 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.417 -0.802 . . . . 10.0 110.07 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -69.63 -44.96 69.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.296 -0.878 . . . . 10.0 110.098 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 mm . . . . . 0 N--CA 1.497 1.885 0 O-C-N 121.446 -0.784 . . . . 10.0 110.075 179.711 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.501 2.119 0 CA-C-O 121.089 0.471 . . . . 10.0 110.803 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -127.84 -55.72 1.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.278 -0.889 . . . . 10.0 110.728 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.79 -53.91 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.333 -0.854 . . . . 10.0 109.988 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.794 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 mp -62.19 -30.54 71.14 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.683 -0.636 . . . . 10.0 110.038 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.73 -42.48 93.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.805 -0.56 . . . . 10.0 109.66 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.45 -31.3 60.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.653 -0.655 . . . . 10.0 110.206 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 6' ' ' LEU . 47.6 mt -59.2 -49.23 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.463 -0.773 . . . . 10.0 110.083 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.4 -24.66 62.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.242 -0.911 . . . . 10.0 110.372 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 t -55.64 -35.6 66.11 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.284 -0.885 . . . . 10.0 108.623 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -58.75 -43.27 90.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.854 -0.529 . . . . 10.0 110.131 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.25 -33.66 74.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.532 -0.73 . . . . 10.0 110.439 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -64.24 -45.87 86.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.575 -0.703 . . . . 10.0 109.477 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.591 HG23 HD13 ' A' ' 20' ' ' LEU . 24.3 mm -70.14 -29.82 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.725 -0.609 . . . . 10.0 110.447 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.17 -44.79 94.76 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.85 . . . . 10.0 110.702 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -91.11 -21.05 21.39 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.257 -0.902 . . . . 10.0 110.747 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.14 -34.55 26.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.413 -1.075 . . . . 10.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.591 HD13 HG23 ' A' ' 16' ' ' ILE . 7.2 mp -104.01 42.61 1.17 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.14 -1.212 . . . . 10.0 111.02 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -114.51 -24.91 8.58 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.172 -0.955 . . . . 10.0 110.775 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -82.6 -47.1 12.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.233 -0.917 . . . . 10.0 109.843 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 10.0 109.988 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 121.08 0.467 . . . . 10.0 110.38 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.89 77.91 0.97 Allowed Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.64 -1.384 . . . . 10.0 109.64 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.58 41.27 32.12 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.779 -0.836 . . . . 10.0 110.604 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.502 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 35.8 t80 -113.04 165.73 12.08 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.365 -0.835 . . . . 10.0 110.474 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 14.3 t 72.77 -10.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 121.975 -0.453 . . . . 10.0 111.633 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tp -101.17 -47.32 4.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.094 -1.004 . . . . 10.0 109.514 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.15 -34.68 78.96 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.841 -0.537 . . . . 10.0 110.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 8' ' ' LEU . 3.3 mm? -64.22 -40.25 95.65 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.416 -0.803 . . . . 10.0 110.09 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 mm -68.19 -34.42 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.56 -0.712 . . . . 10.0 109.859 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -73.59 -24.52 60.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.21 -0.931 . . . . 10.0 110.109 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.6 t -55.35 -35.56 65.35 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -32.82 34.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -54.58 -44.08 72.69 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.919 -0.488 . . . . 10.0 110.658 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -38.29 83.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.424 -0.797 . . . . 10.0 110.21 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -37.97 78.46 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.686 -0.634 . . . . 10.0 109.758 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.8 mt -74.74 -39.14 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.444 -0.785 . . . . 10.0 109.615 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -66.83 -48.67 68.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.679 -0.638 . . . . 10.0 110.512 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.17 61.47 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.767 . . . . 10.0 110.358 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.38 -41.31 91.21 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.438 -1.465 . . . . 10.0 109.438 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.16 51.03 1.09 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.445 -1.032 . . . . 10.0 109.695 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.24 -55.66 0.59 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 10.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HG3' HG13 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -70.42 -33.77 71.73 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.309 -0.869 . . . . 10.0 110.552 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.508 HG13 ' HG3' ' A' ' 22' ' ' LYS . 59.1 mt -90.93 -37.59 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 10.0 109.359 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -72.0 -48.15 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.565 -0.709 . . . . 10.0 110.165 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.77 6.24 39.74 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.415 -0.803 . . . . 10.0 110.883 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.52 -7.69 44.96 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.489 -1.044 . . . . 10.0 110.489 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -124.84 57.63 1.27 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.042 -1.269 . . . . 10.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 118.306 -0.854 . . . . 10.0 110.395 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 121.42 0.629 . . . . 10.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.19 46.49 27.14 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.905 -1.278 . . . . 10.0 109.905 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -156.07 34.12 0.34 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.425 -1.044 . . . . 10.0 110.626 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.46 ' O ' HD23 ' A' ' 8' ' ' LEU . 29.1 t80 -71.79 -46.05 59.54 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.239 -0.913 . . . . 10.0 110.352 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.91 -35.01 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.384 -0.823 . . . . 10.0 110.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.73 -43.48 88.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.535 -0.728 . . . . 10.0 110.565 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -36.8 76.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.569 -0.707 . . . . 10.0 110.698 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 4' ' ' TYR . 2.6 mm? -64.14 -39.46 94.08 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.41 -0.806 . . . . 10.0 110.251 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.95 -38.39 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.463 -0.773 . . . . 10.0 110.16 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 38.4 t80 -73.17 -24.48 60.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 10.0 110.341 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -55.11 -41.16 71.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.199 -0.938 . . . . 10.0 108.534 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.72 -33.24 75.2 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.771 -0.581 . . . . 10.0 109.929 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 45.0 t60 -60.66 -46.11 91.55 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.688 -0.633 . . . . 10.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -77.52 -30.35 52.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.332 -0.855 . . . . 10.0 110.307 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -32.98 69.03 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.654 -0.654 . . . . 10.0 110.093 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.33 -42.05 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.445 -0.784 . . . . 10.0 110.023 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -54.62 -39.61 68.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.506 -0.746 . . . . 10.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -106.56 -13.25 15.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.615 -0.678 . . . . 10.0 110.709 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.68 50.82 4.38 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.33 88.26 0.07 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.736 -0.861 . . . . 10.0 111.567 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.91 -54.71 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.487 -0.758 . . . . 10.0 109.721 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -66.52 -44.44 82.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.711 . . . . 10.0 110.029 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.4 mt -77.34 -28.35 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.439 -0.788 . . . . 10.0 109.739 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.35 -50.34 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.489 -0.757 . . . . 10.0 110.445 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.15 -24.63 65.02 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.252 -0.905 . . . . 10.0 110.547 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.93 -31.93 59.43 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.439 -1.464 . . . . 10.0 109.439 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -44.92 23.48 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.633 -0.922 . . . . 10.0 110.211 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.113 0 CA-C-O 118.467 -0.777 . . . . 10.0 110.784 -179.897 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.137 0.494 . . . . 10.0 110.419 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.5 ' HA3' HD12 ' A' ' 6' ' ' LEU . . . 68.84 49.59 41.24 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.058 -1.217 . . . . 10.0 110.058 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 4' ' ' TYR . 1.4 t30 56.23 34.59 24.27 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.659 -0.907 . . . . 10.0 111.35 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.531 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 47.6 t80 60.86 173.02 0.1 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.501 -0.749 . . . . 10.0 111.241 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 23.9 t 72.75 -8.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.503 0 O-C-N 121.77 -0.581 . . . . 10.0 111.854 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.5 HD12 ' HA3' ' A' ' 2' ' ' GLY . 6.0 mt -97.15 -43.9 7.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.96 -1.088 . . . . 10.0 110.033 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.8 -36.89 70.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.717 -0.614 . . . . 10.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -43.15 84.78 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.304 -0.873 . . . . 10.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.09 -44.49 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.319 -0.863 . . . . 10.0 110.408 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -69.75 -23.78 63.43 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 10.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -55.74 -35.79 66.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.202 -0.936 . . . . 10.0 108.519 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.7 -33.56 46.79 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -56.22 -45.38 79.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.638 -0.664 . . . . 10.0 110.158 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -63.71 -39.3 93.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.567 -0.708 . . . . 10.0 110.117 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -41.55 95.42 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.769 -0.582 . . . . 10.0 109.815 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mm -70.38 -32.08 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 10.0 109.985 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.14 -43.37 95.77 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.623 -0.673 . . . . 10.0 110.364 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -32.14 20.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.391 -0.818 . . . . 10.0 110.381 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 -30.59 70.75 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.018 -1.233 . . . . 10.0 110.018 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.15 51.75 2.33 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -1.067 . . . . 10.0 110.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -131.78 -46.96 0.95 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.203 -0.936 . . . . 10.0 110.092 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HG3' HG13 ' A' ' 23' ' ' ILE . 3.6 ptpp? -72.52 -33.43 66.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.58 -0.7 . . . . 10.0 110.479 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.463 HG13 ' HG3' ' A' ' 22' ' ' LYS . 5.4 mt -83.31 -41.08 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.267 -0.896 . . . . 10.0 109.442 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 t -61.11 -35.24 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.844 -0.535 . . . . 10.0 110.284 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.06 -36.98 85.76 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.37 -0.831 . . . . 10.0 110.466 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.2 44.85 1.84 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.632 -1.387 . . . . 10.0 109.632 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -113.21 49.86 0.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.371 -1.076 . . . . 10.0 110.1 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 117.875 -1.059 . . . . 10.0 110.443 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.3 p . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 121.108 0.48 . . . . 10.0 110.47 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.88 -60.9 0.31 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.47 -1.452 . . . . 10.0 109.47 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 52.19 62.33 2.75 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.705 -0.879 . . . . 10.0 110.219 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.532 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 49.9 t80 -86.88 167.99 13.83 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.386 -0.821 . . . . 10.0 110.413 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 19.1 t 75.58 -21.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 O-C-N 122.013 -0.429 . . . . 10.0 111.721 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -88.11 -43.11 11.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.917 -1.115 . . . . 10.0 109.918 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.16 -41.79 76.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.647 -0.658 . . . . 10.0 109.905 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.2 -33.36 75.22 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.561 -0.712 . . . . 10.0 111.218 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 6' ' ' LEU . 2.8 tp -63.49 -32.89 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.137 -0.977 . . . . 10.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' HA ' ' CB ' ' A' ' 13' ' ' HIS . 2.1 t80 -84.64 -22.33 29.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.127 -0.983 . . . . 10.0 110.015 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.2 t -58.02 -38.93 77.1 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.039 -1.097 . . . . 10.0 108.039 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -79.15 -30.63 43.69 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.423 ' CB ' ' HA ' ' A' ' 10' ' ' TYR . 12.4 t60 -59.35 -44.07 92.71 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.672 -0.643 . . . . 10.0 110.076 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -27.31 62.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.498 -0.752 . . . . 10.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' HD22 ' A' ' 12' ' ' LEU . 22.0 mt-30 -65.42 -40.89 93.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.372 -0.83 . . . . 10.0 110.192 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.556 ' HA ' HD21 ' A' ' 20' ' ' LEU . 62.0 mt -81.2 -22.21 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.355 -0.84 . . . . 10.0 110.809 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -37.14 13.12 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.149 -0.969 . . . . 10.0 110.846 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -123.93 -31.26 3.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.905 . . . . 10.0 111.626 -178.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.73 93.5 Favored Glycine 0 N--CA 1.499 2.87 0 N-CA-C 109.809 -1.316 . . . . 10.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 16' ' ' ILE . 1.8 pp -120.96 34.9 5.05 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -1.029 . . . . 10.0 110.305 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 11.9 tttt -57.2 -35.1 69.21 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.459 -0.775 . . . . 10.0 110.442 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -59.15 -33.89 71.43 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.464 -0.773 . . . . 10.0 109.904 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.423 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 5.3 mt -86.9 -36.59 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.527 -0.733 . . . . 10.0 109.305 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -37.92 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.621 -0.675 . . . . 10.0 109.933 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 25' ' ' LEU . 2.0 mm? -63.93 -26.25 68.51 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.458 -0.776 . . . . 10.0 110.506 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.61 -20.92 77.6 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.206 -1.158 . . . . 10.0 110.206 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.423 ' CZ3' HG22 ' A' ' 23' ' ' ILE . 19.9 m0 -105.83 46.34 0.93 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.168 -1.195 . . . . 10.0 110.327 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 117.901 -1.047 . . . . 10.0 110.405 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 121.096 0.474 . . . . 10.0 110.161 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.29 33.78 88.15 Favored Glycine 0 N--CA 1.496 2.666 0 N-CA-C 110.161 -1.176 . . . . 10.0 110.161 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.81 54.0 11.68 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.563 -0.963 . . . . 10.0 110.848 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -108.94 -48.97 3.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.325 -0.859 . . . . 10.0 110.004 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.3 -47.23 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.482 -0.761 . . . . 10.0 110.017 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.14 -37.91 89.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.602 -0.686 . . . . 10.0 109.969 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.64 -42.13 92.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.815 -0.553 . . . . 10.0 110.092 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.36 -35.2 73.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.542 -0.723 . . . . 10.0 110.123 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.6 mm -61.38 -41.66 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.488 -0.757 . . . . 10.0 109.719 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 48.8 t80 -71.52 -25.07 62.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 10.0 110.023 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -58.26 -28.67 65.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.256 -0.903 . . . . 10.0 109.354 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -72.63 -21.38 61.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.558 -0.714 . . . . 10.0 110.386 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 10.1 t-160 -58.13 -52.92 63.55 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.375 -0.828 . . . . 10.0 110.112 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -78.61 -17.4 56.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.75 . . . . 10.0 110.733 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.515 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 6.9 mm100 -66.03 -40.87 91.39 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.359 -0.838 . . . . 10.0 109.781 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.9 mm -81.88 -27.6 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.513 -0.742 . . . . 10.0 110.142 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -79.14 -29.67 43.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.351 -0.843 . . . . 10.0 110.768 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 tpt180 -111.36 -52.02 2.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 10.0 110.0 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -53.56 33.64 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.673 -1.371 . . . . 10.0 109.673 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.81 50.07 1.75 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -1.08 . . . . 10.0 110.09 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 -54.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.41 -0.806 . . . . 10.0 109.721 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -74.61 -45.09 47.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.436 -0.79 . . . . 10.0 109.368 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.59 -38.26 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.639 -0.663 . . . . 10.0 109.432 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.1 t -64.68 -37.07 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.611 -0.68 . . . . 10.0 109.844 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.5 tp -66.6 -33.36 75.5 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.496 -0.752 . . . . 10.0 110.354 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.81 -60.63 3.11 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.628 -1.389 . . . . 10.0 109.628 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 55.49 37.55 29.04 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.637 -0.919 . . . . 10.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.122 -0.942 . . . . 10.0 110.503 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 121.216 0.532 . . . . 10.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.601 ' HA2' HD13 ' A' ' 6' ' ' LEU . . . 77.28 79.84 0.68 Allowed Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.125 -1.59 . . . . 10.0 109.125 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -159.83 -40.79 0.05 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.488 -1.007 . . . . 10.0 111.184 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -105.39 -52.43 2.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.143 -0.973 . . . . 10.0 110.274 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.25 -43.5 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.516 -0.74 . . . . 10.0 110.251 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.601 HD13 ' HA2' ' A' ' 2' ' ' GLY . 6.9 mp -59.13 -44.06 92.01 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.635 -0.666 . . . . 10.0 110.261 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -39.08 88.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.784 -0.573 . . . . 10.0 110.377 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mp -69.26 -36.25 76.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.538 -0.727 . . . . 10.0 110.39 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.8 mm -60.89 -50.34 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 10.0 109.958 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 8.1 t80 -70.41 -23.77 62.81 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.46 -0.896 . . . . 10.0 110.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -35.53 68.1 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -74.83 -32.07 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.731 -0.606 . . . . 10.0 109.564 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 37.9 t60 -58.38 -40.73 83.1 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.717 -0.615 . . . . 10.0 110.018 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -27.28 34.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.456 -0.778 . . . . 10.0 110.434 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -38.21 90.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.283 -0.886 . . . . 10.0 109.753 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.49 -15.5 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.442 -0.786 . . . . 10.0 110.226 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.97 -54.73 3.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.252 -0.905 . . . . 10.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -98.53 -35.24 10.3 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.565 -0.71 . . . . 10.0 110.746 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -21.01 65.44 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 110.486 -1.046 . . . . 10.0 110.486 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -16.07 50.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.264 -1.139 . . . . 10.0 111.641 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 16.0 mtpt -47.35 -33.5 5.88 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.487 -0.758 . . . . 10.0 111.58 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -50.03 73.05 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.269 -0.894 . . . . 10.0 110.209 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.6 mt -78.32 -35.51 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.533 -0.729 . . . . 10.0 109.345 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.575 ' HB ' ' HA ' ' A' ' 21' ' ' LYS . 48.5 t -61.01 -46.81 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.604 -0.685 . . . . 10.0 110.004 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 tp -66.3 -33.59 76.07 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.6 -0.687 . . . . 10.0 110.24 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.31 -29.86 72.53 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.856 -1.298 . . . . 10.0 109.856 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -91.37 -47.7 7.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.38 -1.07 . . . . 10.0 110.004 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 117.962 -1.018 . . . . 10.0 110.26 179.807 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.5 p . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 121.095 0.474 . . . . 10.0 110.438 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.94 73.65 0.23 Allowed Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.571 -1.412 . . . . 10.0 109.571 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 49.8 56.43 7.88 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.789 -0.83 . . . . 10.0 110.564 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -160.78 -65.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.355 -0.841 . . . . 10.0 110.301 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.59 -43.29 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.315 -0.866 . . . . 10.0 110.034 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.34 -36.5 83.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.772 -0.58 . . . . 10.0 109.763 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.78 -41.43 95.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.702 -0.624 . . . . 10.0 109.976 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.6 mm? -61.74 -35.56 78.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.584 -0.697 . . . . 10.0 109.856 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.0 mm -71.61 -33.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.478 -0.764 . . . . 10.0 109.631 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 23.0 t80 -74.7 -23.88 58.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.891 . . . . 10.0 110.179 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -56.07 -33.8 65.36 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 10.0 108.663 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -31.59 65.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.781 -0.575 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 32.0 t60 -58.77 -39.16 80.22 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.661 -0.649 . . . . 10.0 110.12 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -84.53 -25.8 28.52 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.376 -0.828 . . . . 10.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.52 91.83 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.432 -0.792 . . . . 10.0 109.752 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.3 mm -71.89 -26.81 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.466 -0.771 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.683 ' HA ' ' HB2' ' A' ' 22' ' ' LYS . 2.1 t30 -57.72 -63.14 1.34 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.482 -0.761 . . . . 10.0 110.368 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 23' ' ' ILE . 13.1 ttp85 -87.61 -16.47 34.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.244 -0.91 . . . . 10.0 110.77 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.66 -74.02 0.44 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.79 55.07 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.269 -1.136 . . . . 10.0 111.244 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -150.45 -57.27 0.17 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.076 -1.015 . . . . 10.0 110.469 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.683 ' HB2' ' HA ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -72.71 -46.6 52.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.287 -0.883 . . . . 10.0 109.863 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 18' ' ' ARG . 50.1 mm -66.65 -35.48 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.6 -0.687 . . . . 10.0 109.356 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.09 -43.64 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.571 -0.706 . . . . 10.0 109.574 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.91 -34.81 79.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.655 -0.653 . . . . 10.0 110.182 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.96 -32.12 69.94 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 109.548 -1.421 . . . . 10.0 109.548 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CE3' ' HB3' ' A' ' 28' ' ' ALA . 48.2 t90 -85.21 -51.04 6.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.98 . . . . 10.0 109.504 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 118.144 -0.932 . . . . 10.0 110.206 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 120.899 0.381 . . . . 10.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.7 58.86 8.39 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.751 -1.34 . . . . 10.0 109.751 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -136.35 -74.4 0.44 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.505 -0.997 . . . . 10.0 110.079 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.505 ' HD2' HG23 ' A' ' 5' ' ' VAL . 34.9 t80 -156.17 -69.91 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.538 -0.726 . . . . 10.0 109.193 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.505 HG23 ' HD2' ' A' ' 4' ' ' TYR . 94.6 t -67.5 -45.42 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.411 -0.806 . . . . 10.0 109.125 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -76.13 -8.39 56.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.778 -0.576 . . . . 10.0 110.336 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -93.88 -45.48 7.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.474 -0.766 . . . . 10.0 109.822 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -23.7 62.21 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.658 -0.651 . . . . 10.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 tp -59.93 -36.6 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.18 -0.95 . . . . 10.0 110.065 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -79.3 -23.12 43.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -0.913 . . . . 10.0 109.708 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -55.91 -36.76 68.05 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.38 -38.12 86.84 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.812 -0.555 . . . . 10.0 109.718 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -36.67 84.98 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.533 -0.729 . . . . 10.0 109.818 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -40.1 96.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.742 -0.599 . . . . 10.0 109.511 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mm -70.61 -31.99 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.594 -0.691 . . . . 10.0 109.692 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -63.65 -39.84 95.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.705 -0.622 . . . . 10.0 110.245 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -22.38 46.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.343 -0.848 . . . . 10.0 110.643 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.44 93.63 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.12 43.53 1.12 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.292 -1.122 . . . . 10.0 110.115 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -138.09 -52.68 0.62 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.417 -0.802 . . . . 10.0 110.07 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -69.63 -44.96 69.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.296 -0.878 . . . . 10.0 110.098 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 mm -79.99 -37.26 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.446 -0.784 . . . . 10.0 110.075 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.6 t -66.45 -39.87 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.419 -0.8 . . . . 10.0 110.287 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tp -90.12 -24.7 21.02 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.452 -0.78 . . . . 10.0 110.757 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.11 68.91 0.5 Allowed Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.618 -1.393 . . . . 10.0 109.618 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -72.99 -25.07 60.86 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.592 -0.946 . . . . 10.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.948 -1.025 . . . . 10.0 110.165 179.773 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 120.922 0.391 . . . . 10.0 110.699 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.36 33.41 70.83 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.899 -1.28 . . . . 10.0 109.899 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 51.86 44.52 29.32 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.652 -0.91 . . . . 10.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -127.84 -55.72 1.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.278 -0.889 . . . . 10.0 110.728 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.79 -53.91 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.333 -0.854 . . . . 10.0 109.988 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.794 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 mp -62.19 -30.54 71.14 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.683 -0.636 . . . . 10.0 110.038 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.73 -42.48 93.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.805 -0.56 . . . . 10.0 109.66 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.45 -31.3 60.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.653 -0.655 . . . . 10.0 110.206 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 6' ' ' LEU . 47.6 mt -59.2 -49.23 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.463 -0.773 . . . . 10.0 110.083 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.4 -24.66 62.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.242 -0.911 . . . . 10.0 110.372 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 t -55.64 -35.6 66.11 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.284 -0.885 . . . . 10.0 108.623 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -58.75 -43.27 90.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.854 -0.529 . . . . 10.0 110.131 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.25 -33.66 74.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.532 -0.73 . . . . 10.0 110.439 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -64.24 -45.87 86.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.575 -0.703 . . . . 10.0 109.477 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.591 HG23 HD13 ' A' ' 20' ' ' LEU . 24.3 mm -70.14 -29.82 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.725 -0.609 . . . . 10.0 110.447 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.17 -44.79 94.76 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.85 . . . . 10.0 110.702 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -91.11 -21.05 21.39 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.257 -0.902 . . . . 10.0 110.747 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.14 -34.55 26.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.413 -1.075 . . . . 10.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.591 HD13 HG23 ' A' ' 16' ' ' ILE . 7.2 mp -104.01 42.61 1.17 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.14 -1.212 . . . . 10.0 111.02 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . 1.7 tptt -114.51 -24.91 8.58 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.172 -0.955 . . . . 10.0 110.775 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -82.6 -47.1 12.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.233 -0.917 . . . . 10.0 109.843 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt -62.91 -44.87 99.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 10.0 109.988 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 21' ' ' LYS . 11.9 m -59.44 -42.1 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.519 -0.738 . . . . 10.0 110.584 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.53 -39.58 88.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.497 -0.752 . . . . 10.0 110.164 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.22 -33.54 87.15 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.591 -1.403 . . . . 10.0 109.591 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -80.14 -46.78 15.82 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -1.036 . . . . 10.0 109.843 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 118.321 -0.847 . . . . 10.0 109.933 179.726 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.502 2.13 0 CA-C-O 121.137 0.494 . . . . 10.0 110.604 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.502 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 35.8 t80 -113.04 165.73 12.08 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.365 -0.835 . . . . 10.0 110.474 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 14.3 t 72.77 -10.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 121.975 -0.453 . . . . 10.0 111.633 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tp -101.17 -47.32 4.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.094 -1.004 . . . . 10.0 109.514 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.15 -34.68 78.96 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.841 -0.537 . . . . 10.0 110.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 8' ' ' LEU . 3.3 mm? -64.22 -40.25 95.65 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.416 -0.803 . . . . 10.0 110.09 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 mm -68.19 -34.42 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.56 -0.712 . . . . 10.0 109.859 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -73.59 -24.52 60.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.21 -0.931 . . . . 10.0 110.109 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.6 t -55.35 -35.56 65.35 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -32.82 34.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -54.58 -44.08 72.69 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.919 -0.488 . . . . 10.0 110.658 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -38.29 83.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.424 -0.797 . . . . 10.0 110.21 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -37.97 78.46 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.686 -0.634 . . . . 10.0 109.758 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.8 mt -74.74 -39.14 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.444 -0.785 . . . . 10.0 109.615 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -66.83 -48.67 68.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.679 -0.638 . . . . 10.0 110.512 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.17 61.47 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.767 . . . . 10.0 110.358 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.38 -41.31 91.21 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.438 -1.465 . . . . 10.0 109.438 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.16 51.03 1.09 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.445 -1.032 . . . . 10.0 109.695 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.24 -55.66 0.59 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 10.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HG3' HG13 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -70.42 -33.77 71.73 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.309 -0.869 . . . . 10.0 110.552 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.508 HG13 ' HG3' ' A' ' 22' ' ' LYS . 59.1 mt . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 10.0 109.359 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 120.993 0.425 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.46 ' O ' HD23 ' A' ' 8' ' ' LEU . 29.1 t80 -71.79 -46.05 59.54 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.239 -0.913 . . . . 10.0 110.352 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.91 -35.01 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.384 -0.823 . . . . 10.0 110.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.73 -43.48 88.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.535 -0.728 . . . . 10.0 110.565 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -36.8 76.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.569 -0.707 . . . . 10.0 110.698 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 4' ' ' TYR . 2.6 mm? -64.14 -39.46 94.08 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.41 -0.806 . . . . 10.0 110.251 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.95 -38.39 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.463 -0.773 . . . . 10.0 110.16 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 38.4 t80 -73.17 -24.48 60.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 10.0 110.341 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -55.11 -41.16 71.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.199 -0.938 . . . . 10.0 108.534 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.72 -33.24 75.2 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.771 -0.581 . . . . 10.0 109.929 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 45.0 t60 -60.66 -46.11 91.55 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.688 -0.633 . . . . 10.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -77.52 -30.35 52.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.332 -0.855 . . . . 10.0 110.307 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -32.98 69.03 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.654 -0.654 . . . . 10.0 110.093 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.33 -42.05 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.445 -0.784 . . . . 10.0 110.023 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -54.62 -39.61 68.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.506 -0.746 . . . . 10.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -106.56 -13.25 15.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.615 -0.678 . . . . 10.0 110.709 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.68 50.82 4.38 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.33 88.26 0.07 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.736 -0.861 . . . . 10.0 111.567 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.91 -54.71 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.487 -0.758 . . . . 10.0 109.721 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -66.52 -44.44 82.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.711 . . . . 10.0 110.029 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.496 1.858 0 O-C-N 121.439 -0.788 . . . . 10.0 109.739 179.196 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 4' ' ' TYR . 1.4 t30 . . . . . 0 N--CA 1.502 2.171 0 CA-C-O 120.701 0.286 . . . . 10.0 111.35 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.531 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 47.6 t80 60.86 173.02 0.1 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.501 -0.749 . . . . 10.0 111.241 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 23.9 t 72.75 -8.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.503 0 O-C-N 121.77 -0.581 . . . . 10.0 111.854 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mt -97.15 -43.9 7.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.96 -1.088 . . . . 10.0 110.033 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.8 -36.89 70.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.717 -0.614 . . . . 10.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -43.15 84.78 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.304 -0.873 . . . . 10.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.09 -44.49 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.319 -0.863 . . . . 10.0 110.408 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -69.75 -23.78 63.43 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 10.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -55.74 -35.79 66.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.202 -0.936 . . . . 10.0 108.519 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.7 -33.56 46.79 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -56.22 -45.38 79.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.638 -0.664 . . . . 10.0 110.158 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -63.71 -39.3 93.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.567 -0.708 . . . . 10.0 110.117 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -41.55 95.42 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.769 -0.582 . . . . 10.0 109.815 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mm -70.38 -32.08 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 10.0 109.985 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.14 -43.37 95.77 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.623 -0.673 . . . . 10.0 110.364 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -32.14 20.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.391 -0.818 . . . . 10.0 110.381 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 -30.59 70.75 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.018 -1.233 . . . . 10.0 110.018 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.15 51.75 2.33 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -1.067 . . . . 10.0 110.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -131.78 -46.96 0.95 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.203 -0.936 . . . . 10.0 110.092 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HG3' HG13 ' A' ' 23' ' ' ILE . 3.6 ptpp? -72.52 -33.43 66.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.58 -0.7 . . . . 10.0 110.479 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.463 HG13 ' HG3' ' A' ' 22' ' ' LYS . 5.4 mt . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.267 -0.896 . . . . 10.0 109.442 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 121.325 0.583 . . . . 10.0 110.219 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.532 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 49.9 t80 -86.88 167.99 13.83 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.386 -0.821 . . . . 10.0 110.413 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 19.1 t 75.58 -21.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 O-C-N 122.013 -0.429 . . . . 10.0 111.721 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -88.11 -43.11 11.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.917 -1.115 . . . . 10.0 109.918 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.16 -41.79 76.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.647 -0.658 . . . . 10.0 109.905 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.2 -33.36 75.22 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.561 -0.712 . . . . 10.0 111.218 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 6' ' ' LEU . 2.8 tp -63.49 -32.89 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.137 -0.977 . . . . 10.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' HA ' ' CB ' ' A' ' 13' ' ' HIS . 2.1 t80 -84.64 -22.33 29.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.127 -0.983 . . . . 10.0 110.015 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.2 t -58.02 -38.93 77.1 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.039 -1.097 . . . . 10.0 108.039 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -79.15 -30.63 43.69 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.423 ' CB ' ' HA ' ' A' ' 10' ' ' TYR . 12.4 t60 -59.35 -44.07 92.71 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.672 -0.643 . . . . 10.0 110.076 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -27.31 62.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.498 -0.752 . . . . 10.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' HD22 ' A' ' 12' ' ' LEU . 22.0 mt-30 -65.42 -40.89 93.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.372 -0.83 . . . . 10.0 110.192 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.556 ' HA ' HD21 ' A' ' 20' ' ' LEU . 62.0 mt -81.2 -22.21 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.355 -0.84 . . . . 10.0 110.809 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -37.14 13.12 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.149 -0.969 . . . . 10.0 110.846 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -123.93 -31.26 3.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.905 . . . . 10.0 111.626 -178.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.73 93.5 Favored Glycine 0 N--CA 1.499 2.87 0 N-CA-C 109.809 -1.316 . . . . 10.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 16' ' ' ILE . 1.8 pp -120.96 34.9 5.05 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -1.029 . . . . 10.0 110.305 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 11.9 tttt -57.2 -35.1 69.21 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.459 -0.775 . . . . 10.0 110.442 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -59.15 -33.89 71.43 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.464 -0.773 . . . . 10.0 109.904 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.527 -0.733 . . . . 10.0 109.305 179.044 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.501 2.125 0 CA-C-O 121.271 0.558 . . . . 10.0 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -108.94 -48.97 3.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.325 -0.859 . . . . 10.0 110.004 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.3 -47.23 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.482 -0.761 . . . . 10.0 110.017 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.14 -37.91 89.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.602 -0.686 . . . . 10.0 109.969 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.64 -42.13 92.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.815 -0.553 . . . . 10.0 110.092 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.36 -35.2 73.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.542 -0.723 . . . . 10.0 110.123 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.6 mm -61.38 -41.66 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.488 -0.757 . . . . 10.0 109.719 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 48.8 t80 -71.52 -25.07 62.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 10.0 110.023 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -58.26 -28.67 65.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.256 -0.903 . . . . 10.0 109.354 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -72.63 -21.38 61.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.558 -0.714 . . . . 10.0 110.386 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 10.1 t-160 -58.13 -52.92 63.55 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.375 -0.828 . . . . 10.0 110.112 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -78.61 -17.4 56.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.75 . . . . 10.0 110.733 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.515 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 6.9 mm100 -66.03 -40.87 91.39 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.359 -0.838 . . . . 10.0 109.781 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.9 mm -81.88 -27.6 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.513 -0.742 . . . . 10.0 110.142 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -79.14 -29.67 43.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.351 -0.843 . . . . 10.0 110.768 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 tpt180 -111.36 -52.02 2.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 10.0 110.0 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -53.56 33.64 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.673 -1.371 . . . . 10.0 109.673 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.81 50.07 1.75 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -1.08 . . . . 10.0 110.09 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 -54.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.41 -0.806 . . . . 10.0 109.721 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -74.61 -45.09 47.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.436 -0.79 . . . . 10.0 109.368 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.639 -0.663 . . . . 10.0 109.432 179.165 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.613 0.244 . . . . 10.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -105.39 -52.43 2.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.143 -0.973 . . . . 10.0 110.274 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.25 -43.5 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.516 -0.74 . . . . 10.0 110.251 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.13 -44.06 92.01 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.635 -0.666 . . . . 10.0 110.261 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -39.08 88.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.784 -0.573 . . . . 10.0 110.377 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mp -69.26 -36.25 76.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.538 -0.727 . . . . 10.0 110.39 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.8 mm -60.89 -50.34 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 10.0 109.958 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 8.1 t80 -70.41 -23.77 62.81 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.46 -0.896 . . . . 10.0 110.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -35.53 68.1 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -74.83 -32.07 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.731 -0.606 . . . . 10.0 109.564 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 37.9 t60 -58.38 -40.73 83.1 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.717 -0.615 . . . . 10.0 110.018 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -27.28 34.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.456 -0.778 . . . . 10.0 110.434 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -38.21 90.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.283 -0.886 . . . . 10.0 109.753 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.49 -15.5 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.442 -0.786 . . . . 10.0 110.226 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.97 -54.73 3.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.252 -0.905 . . . . 10.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -98.53 -35.24 10.3 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.565 -0.71 . . . . 10.0 110.746 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -21.01 65.44 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 110.486 -1.046 . . . . 10.0 110.486 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -16.07 50.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.264 -1.139 . . . . 10.0 111.641 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -47.35 -33.5 5.88 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.487 -0.758 . . . . 10.0 111.58 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -50.03 73.05 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.269 -0.894 . . . . 10.0 110.209 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 N--CA 1.498 1.943 0 O-C-N 121.533 -0.729 . . . . 10.0 109.345 179.094 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 N--CA 1.503 2.183 0 CA-C-O 121.3 0.571 . . . . 10.0 110.564 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -160.78 -65.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.355 -0.841 . . . . 10.0 110.301 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.59 -43.29 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.315 -0.866 . . . . 10.0 110.034 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.34 -36.5 83.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.772 -0.58 . . . . 10.0 109.763 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.78 -41.43 95.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.702 -0.624 . . . . 10.0 109.976 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.6 mm? -61.74 -35.56 78.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.584 -0.697 . . . . 10.0 109.856 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.0 mm -71.61 -33.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.478 -0.764 . . . . 10.0 109.631 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 23.0 t80 -74.7 -23.88 58.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.891 . . . . 10.0 110.179 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -56.07 -33.8 65.36 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 10.0 108.663 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -31.59 65.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.781 -0.575 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 32.0 t60 -58.77 -39.16 80.22 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.661 -0.649 . . . . 10.0 110.12 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -84.53 -25.8 28.52 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.376 -0.828 . . . . 10.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.52 91.83 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.432 -0.792 . . . . 10.0 109.752 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.3 mm -71.89 -26.81 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.466 -0.771 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.683 ' HA ' ' HB2' ' A' ' 22' ' ' LYS . 2.1 t30 -57.72 -63.14 1.34 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.482 -0.761 . . . . 10.0 110.368 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 23' ' ' ILE . 13.1 ttp85 -87.61 -16.47 34.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.244 -0.91 . . . . 10.0 110.77 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.66 -74.02 0.44 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.79 55.07 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.269 -1.136 . . . . 10.0 111.244 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -150.45 -57.27 0.17 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.076 -1.015 . . . . 10.0 110.469 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.683 ' HB2' ' HA ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -72.71 -46.6 52.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.287 -0.883 . . . . 10.0 109.863 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 18' ' ' ARG . 50.1 mm . . . . . 0 N--CA 1.498 1.96 0 O-C-N 121.6 -0.687 . . . . 10.0 109.356 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.033 0.445 . . . . 10.0 110.079 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.505 ' HD2' HG23 ' A' ' 5' ' ' VAL . 34.9 t80 -156.17 -69.91 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.538 -0.726 . . . . 10.0 109.193 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.505 HG23 ' HD2' ' A' ' 4' ' ' TYR . 94.6 t -67.5 -45.42 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.411 -0.806 . . . . 10.0 109.125 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -76.13 -8.39 56.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.778 -0.576 . . . . 10.0 110.336 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -93.88 -45.48 7.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.474 -0.766 . . . . 10.0 109.822 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -23.7 62.21 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.658 -0.651 . . . . 10.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 tp -59.93 -36.6 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.18 -0.95 . . . . 10.0 110.065 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -79.3 -23.12 43.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -0.913 . . . . 10.0 109.708 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -55.91 -36.76 68.05 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.38 -38.12 86.84 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.812 -0.555 . . . . 10.0 109.718 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -36.67 84.98 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.533 -0.729 . . . . 10.0 109.818 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -40.1 96.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.742 -0.599 . . . . 10.0 109.511 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mm -70.61 -31.99 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.594 -0.691 . . . . 10.0 109.692 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -63.65 -39.84 95.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.705 -0.622 . . . . 10.0 110.245 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -22.38 46.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.343 -0.848 . . . . 10.0 110.643 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.44 93.63 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.12 43.53 1.12 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.292 -1.122 . . . . 10.0 110.115 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -138.09 -52.68 0.62 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.417 -0.802 . . . . 10.0 110.07 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -69.63 -44.96 69.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.296 -0.878 . . . . 10.0 110.098 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 mm . . . . . 0 N--CA 1.497 1.885 0 O-C-N 121.446 -0.784 . . . . 10.0 110.075 179.711 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.501 2.119 0 CA-C-O 121.089 0.471 . . . . 10.0 110.803 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -127.84 -55.72 1.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.278 -0.889 . . . . 10.0 110.728 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.79 -53.91 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.333 -0.854 . . . . 10.0 109.988 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.794 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 mp -62.19 -30.54 71.14 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.683 -0.636 . . . . 10.0 110.038 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.73 -42.48 93.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.805 -0.56 . . . . 10.0 109.66 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.45 -31.3 60.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.653 -0.655 . . . . 10.0 110.206 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 6' ' ' LEU . 47.6 mt -59.2 -49.23 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.463 -0.773 . . . . 10.0 110.083 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.4 -24.66 62.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.242 -0.911 . . . . 10.0 110.372 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 t -55.64 -35.6 66.11 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.284 -0.885 . . . . 10.0 108.623 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -58.75 -43.27 90.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.854 -0.529 . . . . 10.0 110.131 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.25 -33.66 74.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.532 -0.73 . . . . 10.0 110.439 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -64.24 -45.87 86.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.575 -0.703 . . . . 10.0 109.477 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.591 HG23 HD13 ' A' ' 20' ' ' LEU . 24.3 mm -70.14 -29.82 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.725 -0.609 . . . . 10.0 110.447 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.17 -44.79 94.76 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.85 . . . . 10.0 110.702 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -91.11 -21.05 21.39 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.257 -0.902 . . . . 10.0 110.747 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.14 -34.55 26.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.413 -1.075 . . . . 10.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.591 HD13 HG23 ' A' ' 16' ' ' ILE . 7.2 mp -104.01 42.61 1.17 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.14 -1.212 . . . . 10.0 111.02 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -114.51 -24.91 8.58 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.172 -0.955 . . . . 10.0 110.775 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -82.6 -47.1 12.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.233 -0.917 . . . . 10.0 109.843 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 10.0 109.988 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 121.08 0.467 . . . . 10.0 110.38 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.89 77.91 0.97 Allowed Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.64 -1.384 . . . . 10.0 109.64 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.58 41.27 32.12 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.779 -0.836 . . . . 10.0 110.604 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.502 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 35.8 t80 -113.04 165.73 12.08 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.365 -0.835 . . . . 10.0 110.474 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 14.3 t 72.77 -10.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 121.975 -0.453 . . . . 10.0 111.633 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tp -101.17 -47.32 4.77 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.094 -1.004 . . . . 10.0 109.514 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.15 -34.68 78.96 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.841 -0.537 . . . . 10.0 110.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 8' ' ' LEU . 3.3 mm? -64.22 -40.25 95.65 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.416 -0.803 . . . . 10.0 110.09 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 mm -68.19 -34.42 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.56 -0.712 . . . . 10.0 109.859 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -73.59 -24.52 60.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.21 -0.931 . . . . 10.0 110.109 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.6 t -55.35 -35.56 65.35 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -32.82 34.57 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -54.58 -44.08 72.69 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.919 -0.488 . . . . 10.0 110.658 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -38.29 83.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.424 -0.797 . . . . 10.0 110.21 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -37.97 78.46 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.686 -0.634 . . . . 10.0 109.758 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.8 mt -74.74 -39.14 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.444 -0.785 . . . . 10.0 109.615 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -66.83 -48.67 68.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.679 -0.638 . . . . 10.0 110.512 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -30.17 61.47 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.767 . . . . 10.0 110.358 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.38 -41.31 91.21 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.438 -1.465 . . . . 10.0 109.438 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.16 51.03 1.09 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.445 -1.032 . . . . 10.0 109.695 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.24 -55.66 0.59 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 10.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HG3' HG13 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -70.42 -33.77 71.73 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.309 -0.869 . . . . 10.0 110.552 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.508 HG13 ' HG3' ' A' ' 22' ' ' LYS . 59.1 mt -90.93 -37.59 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 10.0 109.359 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -72.0 -48.15 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.565 -0.709 . . . . 10.0 110.165 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.77 6.24 39.74 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.415 -0.803 . . . . 10.0 110.883 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.52 -7.69 44.96 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.489 -1.044 . . . . 10.0 110.489 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -124.84 57.63 1.27 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.042 -1.269 . . . . 10.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 118.306 -0.854 . . . . 10.0 110.395 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 121.42 0.629 . . . . 10.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.19 46.49 27.14 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.905 -1.278 . . . . 10.0 109.905 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -156.07 34.12 0.34 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.425 -1.044 . . . . 10.0 110.626 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.46 ' O ' HD23 ' A' ' 8' ' ' LEU . 29.1 t80 -71.79 -46.05 59.54 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.239 -0.913 . . . . 10.0 110.352 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.91 -35.01 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.384 -0.823 . . . . 10.0 110.109 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.73 -43.48 88.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.535 -0.728 . . . . 10.0 110.565 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -36.8 76.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.569 -0.707 . . . . 10.0 110.698 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 4' ' ' TYR . 2.6 mm? -64.14 -39.46 94.08 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.41 -0.806 . . . . 10.0 110.251 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.95 -38.39 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.463 -0.773 . . . . 10.0 110.16 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 38.4 t80 -73.17 -24.48 60.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 10.0 110.341 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -55.11 -41.16 71.29 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.199 -0.938 . . . . 10.0 108.534 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.72 -33.24 75.2 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.771 -0.581 . . . . 10.0 109.929 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 45.0 t60 -60.66 -46.11 91.55 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.688 -0.633 . . . . 10.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -77.52 -30.35 52.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.332 -0.855 . . . . 10.0 110.307 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -32.98 69.03 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.654 -0.654 . . . . 10.0 110.093 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.3 mm -98.33 -42.05 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.445 -0.784 . . . . 10.0 110.023 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -54.62 -39.61 68.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.506 -0.746 . . . . 10.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -106.56 -13.25 15.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.615 -0.678 . . . . 10.0 110.709 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.68 50.82 4.38 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.396 -1.081 . . . . 10.0 110.396 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.33 88.26 0.07 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.736 -0.861 . . . . 10.0 111.567 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.91 -54.71 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.487 -0.758 . . . . 10.0 109.721 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -66.52 -44.44 82.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.711 . . . . 10.0 110.029 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.4 mt -77.34 -28.35 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.439 -0.788 . . . . 10.0 109.739 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.35 -50.34 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.489 -0.757 . . . . 10.0 110.445 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.15 -24.63 65.02 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.252 -0.905 . . . . 10.0 110.547 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.93 -31.93 59.43 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.439 -1.464 . . . . 10.0 109.439 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -44.92 23.48 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.633 -0.922 . . . . 10.0 110.211 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.113 0 CA-C-O 118.467 -0.777 . . . . 10.0 110.784 -179.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.137 0.494 . . . . 10.0 110.419 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.5 ' HA3' HD12 ' A' ' 6' ' ' LEU . . . 68.84 49.59 41.24 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.058 -1.217 . . . . 10.0 110.058 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 4' ' ' TYR . 1.4 t30 56.23 34.59 24.27 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.659 -0.907 . . . . 10.0 111.35 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.531 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 47.6 t80 60.86 173.02 0.1 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.501 -0.749 . . . . 10.0 111.241 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 23.9 t 72.75 -8.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.503 0 O-C-N 121.77 -0.581 . . . . 10.0 111.854 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.5 HD12 ' HA3' ' A' ' 2' ' ' GLY . 6.0 mt -97.15 -43.9 7.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.96 -1.088 . . . . 10.0 110.033 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.8 -36.89 70.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.717 -0.614 . . . . 10.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -43.15 84.78 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.304 -0.873 . . . . 10.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.09 -44.49 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.319 -0.863 . . . . 10.0 110.408 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -69.75 -23.78 63.43 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 10.0 110.556 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -55.74 -35.79 66.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.202 -0.936 . . . . 10.0 108.519 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tp -78.7 -33.56 46.79 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -56.22 -45.38 79.95 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.638 -0.664 . . . . 10.0 110.158 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -63.71 -39.3 93.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.567 -0.708 . . . . 10.0 110.117 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -41.55 95.42 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.769 -0.582 . . . . 10.0 109.815 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mm -70.38 -32.08 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.546 -0.721 . . . . 10.0 109.985 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.14 -43.37 95.77 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.623 -0.673 . . . . 10.0 110.364 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -32.14 20.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.391 -0.818 . . . . 10.0 110.381 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 -30.59 70.75 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.018 -1.233 . . . . 10.0 110.018 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.15 51.75 2.33 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -1.067 . . . . 10.0 110.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -131.78 -46.96 0.95 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.203 -0.936 . . . . 10.0 110.092 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HG3' HG13 ' A' ' 23' ' ' ILE . 3.6 ptpp? -72.52 -33.43 66.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.58 -0.7 . . . . 10.0 110.479 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.463 HG13 ' HG3' ' A' ' 22' ' ' LYS . 5.4 mt -83.31 -41.08 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.267 -0.896 . . . . 10.0 109.442 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 t -61.11 -35.24 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.844 -0.535 . . . . 10.0 110.284 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.06 -36.98 85.76 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.37 -0.831 . . . . 10.0 110.466 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.2 44.85 1.84 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.632 -1.387 . . . . 10.0 109.632 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -113.21 49.86 0.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.371 -1.076 . . . . 10.0 110.1 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 117.875 -1.059 . . . . 10.0 110.443 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.3 p . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 121.108 0.48 . . . . 10.0 110.47 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.88 -60.9 0.31 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.47 -1.452 . . . . 10.0 109.47 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 52.19 62.33 2.75 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.705 -0.879 . . . . 10.0 110.219 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.532 ' O ' ' HB ' ' A' ' 5' ' ' VAL . 49.9 t80 -86.88 167.99 13.83 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.386 -0.821 . . . . 10.0 110.413 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' ' 4' ' ' TYR . 19.1 t 75.58 -21.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 O-C-N 122.013 -0.429 . . . . 10.0 111.721 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -88.11 -43.11 11.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.917 -1.115 . . . . 10.0 109.918 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.16 -41.79 76.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.647 -0.658 . . . . 10.0 109.905 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.2 -33.36 75.22 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.561 -0.712 . . . . 10.0 111.218 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 6' ' ' LEU . 2.8 tp -63.49 -32.89 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.137 -0.977 . . . . 10.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' HA ' ' CB ' ' A' ' 13' ' ' HIS . 2.1 t80 -84.64 -22.33 29.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.127 -0.983 . . . . 10.0 110.015 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.2 t -58.02 -38.93 77.1 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.039 -1.097 . . . . 10.0 108.039 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -79.15 -30.63 43.69 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 177.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.423 ' CB ' ' HA ' ' A' ' 10' ' ' TYR . 12.4 t60 -59.35 -44.07 92.71 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.672 -0.643 . . . . 10.0 110.076 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -27.31 62.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.498 -0.752 . . . . 10.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' OE1' HD22 ' A' ' 12' ' ' LEU . 22.0 mt-30 -65.42 -40.89 93.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.372 -0.83 . . . . 10.0 110.192 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.556 ' HA ' HD21 ' A' ' 20' ' ' LEU . 62.0 mt -81.2 -22.21 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.355 -0.84 . . . . 10.0 110.809 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -37.14 13.12 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.149 -0.969 . . . . 10.0 110.846 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -123.93 -31.26 3.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.251 -0.905 . . . . 10.0 111.626 -178.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.73 93.5 Favored Glycine 0 N--CA 1.499 2.87 0 N-CA-C 109.809 -1.316 . . . . 10.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 16' ' ' ILE . 1.8 pp -120.96 34.9 5.05 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -1.029 . . . . 10.0 110.305 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 11.9 tttt -57.2 -35.1 69.21 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.459 -0.775 . . . . 10.0 110.442 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -59.15 -33.89 71.43 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.464 -0.773 . . . . 10.0 109.904 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.423 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 5.3 mt -86.9 -36.59 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.527 -0.733 . . . . 10.0 109.305 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -37.92 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.621 -0.675 . . . . 10.0 109.933 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 25' ' ' LEU . 2.0 mm? -63.93 -26.25 68.51 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.458 -0.776 . . . . 10.0 110.506 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.61 -20.92 77.6 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.206 -1.158 . . . . 10.0 110.206 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.423 ' CZ3' HG22 ' A' ' 23' ' ' ILE . 19.9 m0 -105.83 46.34 0.93 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.168 -1.195 . . . . 10.0 110.327 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 117.901 -1.047 . . . . 10.0 110.405 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 121.096 0.474 . . . . 10.0 110.161 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.29 33.78 88.15 Favored Glycine 0 N--CA 1.496 2.666 0 N-CA-C 110.161 -1.176 . . . . 10.0 110.161 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.81 54.0 11.68 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.563 -0.963 . . . . 10.0 110.848 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -108.94 -48.97 3.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.325 -0.859 . . . . 10.0 110.004 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.3 -47.23 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.482 -0.761 . . . . 10.0 110.017 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.14 -37.91 89.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.602 -0.686 . . . . 10.0 109.969 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.64 -42.13 92.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.815 -0.553 . . . . 10.0 110.092 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.36 -35.2 73.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.542 -0.723 . . . . 10.0 110.123 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.6 mm -61.38 -41.66 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.488 -0.757 . . . . 10.0 109.719 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 48.8 t80 -71.52 -25.07 62.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 10.0 110.023 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -58.26 -28.67 65.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.256 -0.903 . . . . 10.0 109.354 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -72.63 -21.38 61.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.558 -0.714 . . . . 10.0 110.386 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 10.1 t-160 -58.13 -52.92 63.55 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.375 -0.828 . . . . 10.0 110.112 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -78.61 -17.4 56.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.75 . . . . 10.0 110.733 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.515 ' HB2' ' HA ' ' A' ' 12' ' ' LEU . 6.9 mm100 -66.03 -40.87 91.39 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.359 -0.838 . . . . 10.0 109.781 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.9 mm -81.88 -27.6 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.513 -0.742 . . . . 10.0 110.142 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -79.14 -29.67 43.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.351 -0.843 . . . . 10.0 110.768 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 tpt180 -111.36 -52.02 2.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 10.0 110.0 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -53.56 33.64 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.673 -1.371 . . . . 10.0 109.673 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.81 50.07 1.75 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -1.08 . . . . 10.0 110.09 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 -54.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.41 -0.806 . . . . 10.0 109.721 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -74.61 -45.09 47.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.436 -0.79 . . . . 10.0 109.368 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.59 -38.26 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.639 -0.663 . . . . 10.0 109.432 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.1 t -64.68 -37.07 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.611 -0.68 . . . . 10.0 109.844 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.5 tp -66.6 -33.36 75.5 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.496 -0.752 . . . . 10.0 110.354 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.81 -60.63 3.11 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.628 -1.389 . . . . 10.0 109.628 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 55.49 37.55 29.04 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.637 -0.919 . . . . 10.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 118.122 -0.942 . . . . 10.0 110.503 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 121.216 0.532 . . . . 10.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.601 ' HA2' HD13 ' A' ' 6' ' ' LEU . . . 77.28 79.84 0.68 Allowed Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.125 -1.59 . . . . 10.0 109.125 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -159.83 -40.79 0.05 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.488 -1.007 . . . . 10.0 111.184 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -105.39 -52.43 2.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.143 -0.973 . . . . 10.0 110.274 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.25 -43.5 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.516 -0.74 . . . . 10.0 110.251 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.601 HD13 ' HA2' ' A' ' 2' ' ' GLY . 6.9 mp -59.13 -44.06 92.01 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.635 -0.666 . . . . 10.0 110.261 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -39.08 88.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.784 -0.573 . . . . 10.0 110.377 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mp -69.26 -36.25 76.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.538 -0.727 . . . . 10.0 110.39 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.8 mm -60.89 -50.34 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 10.0 109.958 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 8.1 t80 -70.41 -23.77 62.81 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.46 -0.896 . . . . 10.0 110.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -35.53 68.1 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -74.83 -32.07 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.731 -0.606 . . . . 10.0 109.564 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 37.9 t60 -58.38 -40.73 83.1 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.717 -0.615 . . . . 10.0 110.018 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -27.28 34.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.456 -0.778 . . . . 10.0 110.434 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -38.21 90.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.283 -0.886 . . . . 10.0 109.753 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.49 -15.5 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.442 -0.786 . . . . 10.0 110.226 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.97 -54.73 3.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.252 -0.905 . . . . 10.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -98.53 -35.24 10.3 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.565 -0.71 . . . . 10.0 110.746 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -21.01 65.44 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 110.486 -1.046 . . . . 10.0 110.486 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -16.07 50.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.264 -1.139 . . . . 10.0 111.641 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 16.0 mtpt -47.35 -33.5 5.88 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.487 -0.758 . . . . 10.0 111.58 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -50.03 73.05 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.269 -0.894 . . . . 10.0 110.209 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.6 mt -78.32 -35.51 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.533 -0.729 . . . . 10.0 109.345 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.575 ' HB ' ' HA ' ' A' ' 21' ' ' LYS . 48.5 t -61.01 -46.81 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.604 -0.685 . . . . 10.0 110.004 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 tp -66.3 -33.59 76.07 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.6 -0.687 . . . . 10.0 110.24 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.31 -29.86 72.53 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.856 -1.298 . . . . 10.0 109.856 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -91.37 -47.7 7.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.38 -1.07 . . . . 10.0 110.004 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 117.962 -1.018 . . . . 10.0 110.26 179.807 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.5 p . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 121.095 0.474 . . . . 10.0 110.438 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.94 73.65 0.23 Allowed Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.571 -1.412 . . . . 10.0 109.571 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 49.8 56.43 7.88 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.789 -0.83 . . . . 10.0 110.564 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -160.78 -65.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.355 -0.841 . . . . 10.0 110.301 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.59 -43.29 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.315 -0.866 . . . . 10.0 110.034 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.34 -36.5 83.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.772 -0.58 . . . . 10.0 109.763 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.78 -41.43 95.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.702 -0.624 . . . . 10.0 109.976 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.6 mm? -61.74 -35.56 78.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.584 -0.697 . . . . 10.0 109.856 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.0 mm -71.61 -33.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.478 -0.764 . . . . 10.0 109.631 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 23.0 t80 -74.7 -23.88 58.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.274 -0.891 . . . . 10.0 110.179 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -56.07 -33.8 65.36 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 10.0 108.663 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -31.59 65.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.781 -0.575 . . . . 10.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 32.0 t60 -58.77 -39.16 80.22 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.661 -0.649 . . . . 10.0 110.12 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -84.53 -25.8 28.52 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.376 -0.828 . . . . 10.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.52 91.83 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.432 -0.792 . . . . 10.0 109.752 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.3 mm -71.89 -26.81 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.466 -0.771 . . . . 10.0 110.142 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.683 ' HA ' ' HB2' ' A' ' 22' ' ' LYS . 2.1 t30 -57.72 -63.14 1.34 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.482 -0.761 . . . . 10.0 110.368 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 23' ' ' ILE . 13.1 ttp85 -87.61 -16.47 34.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.244 -0.91 . . . . 10.0 110.77 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.66 -74.02 0.44 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.215 -1.154 . . . . 10.0 110.215 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.79 55.07 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.269 -1.136 . . . . 10.0 111.244 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -150.45 -57.27 0.17 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.076 -1.015 . . . . 10.0 110.469 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.683 ' HB2' ' HA ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -72.71 -46.6 52.78 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.287 -0.883 . . . . 10.0 109.863 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 18' ' ' ARG . 50.1 mm -66.65 -35.48 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.6 -0.687 . . . . 10.0 109.356 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.09 -43.64 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.571 -0.706 . . . . 10.0 109.574 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.91 -34.81 79.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.655 -0.653 . . . . 10.0 110.182 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.96 -32.12 69.94 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 109.548 -1.421 . . . . 10.0 109.548 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CE3' ' HB3' ' A' ' 28' ' ' ALA . 48.2 t90 -85.21 -51.04 6.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.98 . . . . 10.0 109.504 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HB3' ' CE3' ' A' ' 27' ' ' TRP . . . . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 118.144 -0.932 . . . . 10.0 110.206 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 120.899 0.381 . . . . 10.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.7 58.86 8.39 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.751 -1.34 . . . . 10.0 109.751 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -136.35 -74.4 0.44 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.505 -0.997 . . . . 10.0 110.079 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.505 ' HD2' HG23 ' A' ' 5' ' ' VAL . 34.9 t80 -156.17 -69.91 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.538 -0.726 . . . . 10.0 109.193 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.505 HG23 ' HD2' ' A' ' 4' ' ' TYR . 94.6 t -67.5 -45.42 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.411 -0.806 . . . . 10.0 109.125 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -76.13 -8.39 56.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.778 -0.576 . . . . 10.0 110.336 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -93.88 -45.48 7.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.474 -0.766 . . . . 10.0 109.822 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -23.7 62.21 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.658 -0.651 . . . . 10.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 tp -59.93 -36.6 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.18 -0.95 . . . . 10.0 110.065 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -79.3 -23.12 43.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -0.913 . . . . 10.0 109.708 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -55.91 -36.76 68.05 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.493 -0.929 . . . . 10.0 108.493 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.38 -38.12 86.84 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -57.85 -42.69 84.96 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.812 -0.555 . . . . 10.0 109.718 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -36.67 84.98 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.533 -0.729 . . . . 10.0 109.818 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -40.1 96.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.742 -0.599 . . . . 10.0 109.511 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mm -70.61 -31.99 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.594 -0.691 . . . . 10.0 109.692 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -63.65 -39.84 95.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.705 -0.622 . . . . 10.0 110.245 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -22.38 46.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.343 -0.848 . . . . 10.0 110.643 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.61 -41.44 93.63 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.958 -1.257 . . . . 10.0 109.958 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.12 43.53 1.12 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.292 -1.122 . . . . 10.0 110.115 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -138.09 -52.68 0.62 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.417 -0.802 . . . . 10.0 110.07 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -69.63 -44.96 69.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.296 -0.878 . . . . 10.0 110.098 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 mm -79.99 -37.26 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.446 -0.784 . . . . 10.0 110.075 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.6 t -66.45 -39.87 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.419 -0.8 . . . . 10.0 110.287 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tp -90.12 -24.7 21.02 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.452 -0.78 . . . . 10.0 110.757 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.11 68.91 0.5 Allowed Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.618 -1.393 . . . . 10.0 109.618 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -72.99 -25.07 60.86 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.592 -0.946 . . . . 10.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.948 -1.025 . . . . 10.0 110.165 179.773 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 120.922 0.391 . . . . 10.0 110.699 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.36 33.41 70.83 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.899 -1.28 . . . . 10.0 109.899 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 51.86 44.52 29.32 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.652 -0.91 . . . . 10.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -127.84 -55.72 1.29 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.278 -0.889 . . . . 10.0 110.728 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.6 t -61.79 -53.91 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.333 -0.854 . . . . 10.0 109.988 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.794 ' HA ' HD12 ' A' ' 9' ' ' ILE . 5.7 mp -62.19 -30.54 71.14 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.683 -0.636 . . . . 10.0 110.038 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.73 -42.48 93.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.805 -0.56 . . . . 10.0 109.66 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.45 -31.3 60.27 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.653 -0.655 . . . . 10.0 110.206 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 6' ' ' LEU . 47.6 mt -59.2 -49.23 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.463 -0.773 . . . . 10.0 110.083 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.4 -24.66 62.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.242 -0.911 . . . . 10.0 110.372 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 t -55.64 -35.6 66.11 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.284 -0.885 . . . . 10.0 108.623 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -72.59 -36.39 68.14 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -58.75 -43.27 90.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.854 -0.529 . . . . 10.0 110.131 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.25 -33.66 74.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.532 -0.73 . . . . 10.0 110.439 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -64.24 -45.87 86.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.575 -0.703 . . . . 10.0 109.477 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.591 HG23 HD13 ' A' ' 20' ' ' LEU . 24.3 mm -70.14 -29.82 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.725 -0.609 . . . . 10.0 110.447 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.17 -44.79 94.76 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.85 . . . . 10.0 110.702 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -91.11 -21.05 21.39 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.257 -0.902 . . . . 10.0 110.747 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.14 -34.55 26.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.413 -1.075 . . . . 10.0 110.413 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.591 HD13 HG23 ' A' ' 16' ' ' ILE . 7.2 mp -104.01 42.61 1.17 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.14 -1.212 . . . . 10.0 111.02 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . 1.7 tptt -114.51 -24.91 8.58 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.172 -0.955 . . . . 10.0 110.775 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -82.6 -47.1 12.48 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.233 -0.917 . . . . 10.0 109.843 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt -62.91 -44.87 99.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 10.0 109.988 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 21' ' ' LYS . 11.9 m -59.44 -42.1 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.519 -0.738 . . . . 10.0 110.584 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.53 -39.58 88.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.497 -0.752 . . . . 10.0 110.164 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.22 -33.54 87.15 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.591 -1.403 . . . . 10.0 109.591 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -80.14 -46.78 15.82 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -1.036 . . . . 10.0 109.843 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 118.321 -0.847 . . . . 10.0 109.933 179.726 . . . . . . . . 0 0 . 1 stop_ save_