data_2mp9_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 2mp9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.4 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.852 0.358 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.42 -26.78 41.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.268 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.62 -52.24 10.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.356 0.598 . . . . 0.0 109.933 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.88 -24.17 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.166 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -45.87 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.945 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -74.54 -36.45 63.13 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.25 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -68.18 -34.33 76.09 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.614 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.417 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.778 0.323 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -83.08 -28.8 29.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.427 0.632 . . . . 0.0 109.822 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.21 -24.6 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.253 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.62 -45.42 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.159 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -71.58 -24.67 61.95 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.763 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -82.41 -34.82 28.13 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.058 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 120.85 0.357 . . . . 0.0 110.619 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.754 0.311 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.526 ' O ' ' ND1' ' A' ' 8' ' ' HIS . 11.4 mm-40 -80.5 -27.72 37.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.344 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.94 -51.15 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.375 0.607 . . . . 0.0 109.744 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -57.67 -24.99 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.822 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 t -72.19 -44.71 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.933 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 4' ' ' GLU . 68.0 m80 -74.8 -36.58 62.47 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.224 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.1 -32.12 72.21 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 -179.749 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.84 0.352 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.38 -24.3 50.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -52.66 7.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.694 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.85 -22.92 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.312 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -46.34 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.008 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -72.9 -38.54 66.88 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.119 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -65.7 -32.24 73.69 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -80.14 -28.17 38.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.394 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.12 -51.91 11.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.351 0.596 . . . . 0.0 109.822 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.26 -23.72 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.113 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -44.98 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -75.1 -35.87 61.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.258 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -31.61 70.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.608 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.067 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.875 0.369 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.02 -21.26 64.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.318 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.51 -52.39 7.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.758 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.1 -24.04 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.094 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.59 -45.83 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.09 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -74.23 -34.44 63.66 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.191 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -31.03 69.86 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.04 0.448 . . . . 0.0 110.041 179.74 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.35 -21.49 58.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.16 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -52.09 8.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.74 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.84 -23.63 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.368 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -45.38 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.116 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -73.21 -38.18 66.17 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.249 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -29.84 70.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.585 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.198 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.876 0.37 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.48 -25.81 38.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -51.33 10.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.445 0.641 . . . . 0.0 109.807 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.57 -23.42 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.611 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.77 -45.71 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.059 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -72.47 -37.04 68.59 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.065 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -67.53 -32.0 72.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.767 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.795 0.331 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -80.19 -31.07 38.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.33 -51.49 13.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.474 0.654 . . . . 0.0 109.849 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.59 -22.61 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.178 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.83 -44.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.041 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -74.56 -36.73 63.09 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.275 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -68.86 -31.79 70.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.695 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.526 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.866 0.365 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -82.96 -26.8 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.237 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.95 -51.69 10.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.84 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -59.53 -24.44 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.202 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -44.37 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.253 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -75.19 -27.89 59.8 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.148 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -75.45 -31.28 60.25 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.054 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.328 -179.532 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 3' ' ' SER . 16.4 p . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 50.08 10.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 0.0 110.221 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.536 ' H ' ' C ' ' A' ' 1' ' ' SER . 76.4 p -63.85 -14.03 49.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.386 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.42 -26.78 41.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.268 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.62 -52.24 10.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.356 0.598 . . . . 0.0 109.933 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.88 -24.17 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.166 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -45.87 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.945 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -74.54 -36.45 63.13 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.25 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' NH2 . 3.8 mm-40 -68.18 -34.33 76.09 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.614 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -75.8 -35.4 60.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.417 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 mt -79.77 -45.65 18.44 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -100.4 -41.06 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.561 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.01 -1.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.558 ' C ' ' H ' ' A' ' 3' ' ' SER . 4.3 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 50.4 10.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.188 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.558 ' H ' ' C ' ' A' ' 1' ' ' SER . 78.3 p -67.97 -12.93 61.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.498 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -83.08 -28.8 29.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.427 0.632 . . . . 0.0 109.822 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.21 -24.6 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.253 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.62 -45.42 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.159 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -71.58 -24.67 61.95 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.763 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -82.41 -34.82 28.13 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.058 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -22.57 59.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.85 0.357 . . . . 0.0 110.619 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -78.86 -44.07 23.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -90.82 -83.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.389 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.982 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.552 ' O ' ' N ' ' A' ' 3' ' ' SER . 27.7 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 1' ' ' SER . 8.5 ptm180 41.54 18.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.253 0.549 . . . . 0.0 110.762 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 1' ' ' SER . 47.2 t -104.47 -10.23 17.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.436 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.526 ' O ' ' ND1' ' A' ' 8' ' ' HIS . 11.4 mm-40 -80.5 -27.72 37.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.344 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.94 -51.15 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.375 0.607 . . . . 0.0 109.744 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -57.67 -24.99 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.822 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 t -72.19 -44.71 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.933 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 12' ' ' PHE . 68.0 m80 -74.8 -36.58 62.47 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.224 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.1 -32.12 72.21 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -78.02 -41.79 34.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.14 -51.6 6.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.608 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -93.06 10.28 32.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.461 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 120.037 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -177.07 6.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.2 0.524 . . . . 0.0 110.244 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -83.56 -16.0 47.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.38 -24.3 50.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -52.66 7.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.694 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.85 -22.92 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.312 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -46.34 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.008 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -72.9 -38.54 66.88 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.119 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -65.7 -32.24 73.69 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -27.86 57.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.515 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.69 -36.62 65.32 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -101.99 -8.01 21.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.372 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.011 -1.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 173.65 8.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.418 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 m -95.39 -12.27 26.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.526 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -80.14 -28.17 38.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.394 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.12 -51.91 11.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.351 0.596 . . . . 0.0 109.822 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.26 -23.72 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.113 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -44.98 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -75.1 -35.87 61.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.258 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -31.61 70.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.608 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -73.1 -36.87 66.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.067 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.7 mt -78.44 -39.82 37.58 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.437 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.27 97.21 4.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 120.04 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 3' ' ' SER . 45.6 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.9 8.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.077 0.465 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.56 ' H ' ' C ' ' A' ' 1' ' ' SER . 6.1 m -63.55 -20.49 65.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.455 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.02 -21.26 64.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.318 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.51 -52.39 7.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.758 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.1 -24.04 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.094 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.59 -45.83 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.09 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.565 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 19.5 t60 -74.23 -34.44 63.66 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.191 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -31.03 69.86 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -69.28 -33.03 72.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.04 0.448 . . . . 0.0 110.041 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.75 -43.28 25.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' CE1' ' CE1' ' A' ' 8' ' ' HIS . 18.0 m-85 -85.62 148.8 25.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.07 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 176.13 9.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.024 0.44 . . . . 0.0 110.491 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m -69.58 -18.36 63.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.498 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.35 -21.49 58.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.16 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -52.09 8.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.74 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.84 -23.63 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.368 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -45.38 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.116 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -73.21 -38.18 66.17 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.249 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -29.84 70.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.585 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -70.54 -29.36 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.198 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.8 mt -78.6 -44.68 23.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.296 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -95.44 -72.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.36 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.8 p . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.66 8.02 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.467 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 p -89.61 -14.85 34.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.522 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.48 -25.81 38.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -51.33 10.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.445 0.641 . . . . 0.0 109.807 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.57 -23.42 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.611 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.77 -45.71 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.059 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' A' ' 12' ' ' PHE . 16.2 m80 -72.47 -37.04 68.59 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.065 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -67.53 -32.0 72.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -82.51 -47.26 12.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.4 mt -80.2 -45.65 17.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.438 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' HIS . 75.6 t80 39.43 82.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.003 -1.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 177.8 8.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.151 0.5 . . . . 0.0 110.473 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -82.71 -9.53 59.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.625 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -80.19 -31.07 38.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.33 -51.49 13.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.474 0.654 . . . . 0.0 109.849 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.59 -22.61 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.178 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.83 -44.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.041 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.536 ' NE2' ' CE1' ' A' ' 12' ' ' PHE . 10.9 t-160 -74.56 -36.73 63.09 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.275 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -68.86 -31.79 70.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.695 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -72.92 -27.77 62.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -73.25 -34.43 65.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.292 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' CE1' ' NE2' ' A' ' 8' ' ' HIS . 7.0 m-85 -84.08 -58.09 2.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.403 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.08 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 175.45 9.08 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.458 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -65.15 -14.34 60.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.451 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -82.96 -26.8 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.237 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.95 -51.69 10.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.84 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -59.53 -24.44 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.202 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -44.37 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.253 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -75.19 -27.89 59.8 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.148 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -75.45 -31.28 60.25 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.054 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -69.58 -22.65 63.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.328 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.64 -41.34 31.74 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.431 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -81.08 -27.05 35.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.502 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.967 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.4 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.852 0.358 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.42 -26.78 41.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.268 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.62 -52.24 10.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.356 0.598 . . . . 0.0 109.933 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.88 -24.17 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.166 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -72.26 -45.87 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.945 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.448 ' N ' HG12 ' A' ' 7' ' ' VAL . 11.6 t-160 -74.54 -36.45 63.13 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.25 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -68.18 -34.33 76.09 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.614 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.417 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.778 0.323 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -83.08 -28.8 29.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.427 0.632 . . . . 0.0 109.822 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.21 -24.6 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.253 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -72.62 -45.42 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.159 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.436 ' N ' HG12 ' A' ' 7' ' ' VAL . 57.9 t-80 -71.58 -24.67 61.95 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.763 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -82.41 -34.82 28.13 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.058 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 120.85 0.357 . . . . 0.0 110.619 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.754 0.311 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.5 -27.72 37.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.344 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.94 -51.15 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.375 0.607 . . . . 0.0 109.744 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -57.67 -24.99 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.822 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.2 t -72.19 -44.71 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.933 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.447 ' N ' HG12 ' A' ' 7' ' ' VAL . 68.0 m80 -74.8 -36.58 62.47 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.224 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.1 -32.12 72.21 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 -179.749 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.84 0.352 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.38 -24.3 50.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -52.66 7.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.694 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.85 -22.92 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.312 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -71.2 -46.34 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.008 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.416 ' N ' HG12 ' A' ' 7' ' ' VAL . 11.8 t-80 -72.9 -38.54 66.88 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.119 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -65.7 -32.24 73.69 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.515 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -80.14 -28.17 38.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.394 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.12 -51.91 11.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.351 0.596 . . . . 0.0 109.822 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.26 -23.72 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.113 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -71.88 -44.98 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.998 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.432 ' N ' HG12 ' A' ' 7' ' ' VAL . 63.5 t-80 -75.1 -35.87 61.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.258 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -31.61 70.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.608 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.067 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.875 0.369 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.02 -21.26 64.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.318 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.51 -52.39 7.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.758 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.1 -24.04 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.094 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.1 t -72.59 -45.83 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.09 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.449 ' N ' HG12 ' A' ' 7' ' ' VAL . 37.0 t-80 -74.23 -34.44 63.66 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.191 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -31.03 69.86 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.04 0.448 . . . . 0.0 110.041 179.74 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.35 -21.49 58.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.16 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -52.09 8.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.74 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.84 -23.63 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.368 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -71.65 -45.38 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.116 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.44 ' N ' HG12 ' A' ' 7' ' ' VAL . 13.4 t-80 -73.21 -38.18 66.17 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -29.84 70.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.585 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.198 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.876 0.37 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.48 -25.81 38.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -51.33 10.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.445 0.641 . . . . 0.0 109.807 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.57 -23.42 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.611 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -71.77 -45.71 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.059 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.412 ' N ' HG12 ' A' ' 7' ' ' VAL . 16.2 m80 -72.47 -37.04 68.59 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.065 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -67.53 -32.0 72.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.767 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.795 0.331 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -80.19 -31.07 38.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.33 -51.49 13.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.474 0.654 . . . . 0.0 109.849 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.59 -22.61 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.178 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.2 t -69.83 -44.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.041 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.444 ' N ' HG12 ' A' ' 7' ' ' VAL . 10.9 t-160 -74.56 -36.73 63.09 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.275 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -68.86 -31.79 70.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.695 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.526 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.866 0.365 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -82.96 -26.8 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.237 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.95 -51.69 10.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.84 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -59.53 -24.44 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.202 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -74.35 -44.37 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.253 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.409 ' N ' HG12 ' A' ' 7' ' ' VAL . 32.7 t-80 -75.19 -27.89 59.8 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.148 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -75.45 -31.28 60.25 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.054 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.328 -179.532 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 3' ' ' SER . 16.4 p . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 50.08 10.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 0.0 110.221 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 1' ' ' SER . 76.4 p -63.85 -14.03 49.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.386 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.42 -26.78 41.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.268 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.62 -52.24 10.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.356 0.598 . . . . 0.0 109.933 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.88 -24.17 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.166 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -72.26 -45.87 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.945 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' N ' HG12 ' A' ' 7' ' ' VAL . 11.6 t-160 -74.54 -36.45 63.13 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.25 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' NH2 . 3.8 mm-40 -68.18 -34.33 76.09 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.614 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -75.8 -35.4 60.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.417 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 mt -79.77 -45.65 18.44 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -100.4 -41.06 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.561 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.01 -1.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 3' ' ' SER . 4.3 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 50.4 10.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.188 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.51 ' H ' ' C ' ' A' ' 1' ' ' SER . 78.3 p -67.97 -12.93 61.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.498 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -83.08 -28.8 29.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.427 0.632 . . . . 0.0 109.822 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.21 -24.6 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.253 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -72.62 -45.42 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.159 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' N ' HG12 ' A' ' 7' ' ' VAL . 57.9 t-80 -71.58 -24.67 61.95 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.763 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -82.41 -34.82 28.13 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.058 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -22.57 59.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.85 0.357 . . . . 0.0 110.619 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -78.86 -44.07 23.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -90.82 -83.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.389 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.982 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.552 ' O ' ' N ' ' A' ' 3' ' ' SER . 27.7 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 1' ' ' SER . 8.5 ptm180 41.54 18.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.253 0.549 . . . . 0.0 110.762 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 1' ' ' SER . 47.2 t -104.47 -10.23 17.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.436 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.5 -27.72 37.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.344 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.94 -51.15 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.375 0.607 . . . . 0.0 109.744 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.406 HD11 ' NH2' ' A' ' 2' ' ' ARG . 63.6 mt -57.67 -24.99 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.822 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.2 t -72.19 -44.71 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.933 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' PHE . 68.0 m80 -74.8 -36.58 62.47 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.224 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.1 -32.12 72.21 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -78.02 -41.79 34.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.14 -51.6 6.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.608 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -93.06 10.28 32.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.461 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 120.037 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -177.07 6.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.2 0.524 . . . . 0.0 110.244 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -83.56 -16.0 47.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.38 -24.3 50.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -52.66 7.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.694 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.85 -22.92 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.312 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -71.2 -46.34 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.008 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.416 ' N ' HG12 ' A' ' 7' ' ' VAL . 11.8 t-80 -72.9 -38.54 66.88 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.119 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -65.7 -32.24 73.69 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -76.13 -27.86 57.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.515 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.69 -36.62 65.32 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -101.99 -8.01 21.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.372 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.011 -1.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' H ' ' H ' ' A' ' 3' ' ' SER . 1.9 ptm180 173.65 8.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.418 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.443 ' H ' ' H ' ' A' ' 2' ' ' ARG . 9.4 m -95.39 -12.27 26.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.526 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -80.14 -28.17 38.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.394 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.12 -51.91 11.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.351 0.596 . . . . 0.0 109.822 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.26 -23.72 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.113 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -71.88 -44.98 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.998 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' N ' HG12 ' A' ' 7' ' ' VAL . 63.5 t-80 -75.1 -35.87 61.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.258 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -31.61 70.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.608 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -73.1 -36.87 66.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.067 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.7 mt -78.44 -39.82 37.58 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.437 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.27 97.21 4.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 120.04 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 3' ' ' SER . 45.6 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.9 8.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.077 0.465 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.536 ' H ' ' C ' ' A' ' 1' ' ' SER . 6.1 m -63.55 -20.49 65.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.455 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.02 -21.26 64.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.318 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.51 -52.39 7.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.758 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.1 -24.04 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.094 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.1 t -72.59 -45.83 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.09 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.565 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 19.5 t60 -74.23 -34.44 63.66 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.191 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -31.03 69.86 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -69.28 -33.03 72.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.04 0.448 . . . . 0.0 110.041 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.75 -43.28 25.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' CE1' ' CE1' ' A' ' 8' ' ' HIS . 18.0 m-85 -85.62 148.8 25.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.07 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 176.13 9.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.024 0.44 . . . . 0.0 110.491 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m -69.58 -18.36 63.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.498 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.35 -21.49 58.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.16 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -52.09 8.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.74 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.84 -23.63 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.368 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -71.65 -45.38 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.116 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.44 ' N ' HG12 ' A' ' 7' ' ' VAL . 13.4 t-80 -73.21 -38.18 66.17 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -29.84 70.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.585 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -70.54 -29.36 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.198 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.8 mt -78.6 -44.68 23.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.296 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -95.44 -72.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.36 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.8 p . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.454 ' H ' ' H ' ' A' ' 3' ' ' SER . 1.0 OUTLIER 175.66 8.02 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.467 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.454 ' H ' ' H ' ' A' ' 2' ' ' ARG . 63.8 p -89.61 -14.85 34.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.522 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.48 -25.81 38.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -51.33 10.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.445 0.641 . . . . 0.0 109.807 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.57 -23.42 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.611 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -71.77 -45.71 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.059 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' A' ' 12' ' ' PHE . 16.2 m80 -72.47 -37.04 68.59 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.065 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -67.53 -32.0 72.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -82.51 -47.26 12.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.4 mt -80.2 -45.65 17.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.438 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' HIS . 75.6 t80 39.43 82.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.003 -1.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 177.8 8.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.151 0.5 . . . . 0.0 110.473 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -82.71 -9.53 59.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.625 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -80.19 -31.07 38.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.33 -51.49 13.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.474 0.654 . . . . 0.0 109.849 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.59 -22.61 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.178 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.2 t -69.83 -44.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.041 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.527 ' NE2' ' CE1' ' A' ' 12' ' ' PHE . 10.9 t-160 -74.56 -36.73 63.09 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.275 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -68.86 -31.79 70.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.695 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -72.92 -27.77 62.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -73.25 -34.43 65.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.292 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE1' ' NE2' ' A' ' 8' ' ' HIS . 7.0 m-85 -84.08 -58.09 2.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.403 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.08 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.424 ' H ' ' H ' ' A' ' 3' ' ' SER . 0.7 OUTLIER 175.45 9.08 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.458 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.424 ' H ' ' H ' ' A' ' 2' ' ' ARG . 8.6 t -65.15 -14.34 60.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -82.96 -26.8 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.237 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.95 -51.69 10.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.84 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -59.53 -24.44 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.202 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -74.35 -44.37 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.253 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.409 ' N ' HG12 ' A' ' 7' ' ' VAL . 32.7 t-80 -75.19 -27.89 59.8 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.148 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -75.45 -31.28 60.25 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.054 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -69.58 -22.65 63.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.328 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.64 -41.34 31.74 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.431 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -81.08 -27.05 35.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.502 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.967 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.4 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.852 0.358 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.42 -26.78 41.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.268 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.62 -52.24 10.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.356 0.598 . . . . 0.0 109.933 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.88 -24.17 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.166 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -72.26 -45.87 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.945 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.448 ' N ' HG12 ' A' ' 7' ' ' VAL . 11.6 t-160 -74.54 -36.45 63.13 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.25 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -68.18 -34.33 76.09 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.614 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.417 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.778 0.323 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -83.08 -28.8 29.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.427 0.632 . . . . 0.0 109.822 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.21 -24.6 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.253 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -72.62 -45.42 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.159 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.436 ' N ' HG12 ' A' ' 7' ' ' VAL . 57.9 t-80 -71.58 -24.67 61.95 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.763 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -82.41 -34.82 28.13 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.058 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 120.85 0.357 . . . . 0.0 110.619 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.754 0.311 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.5 -27.72 37.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.344 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.94 -51.15 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.375 0.607 . . . . 0.0 109.744 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -57.67 -24.99 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.822 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.2 t -72.19 -44.71 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.933 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.447 ' N ' HG12 ' A' ' 7' ' ' VAL . 68.0 m80 -74.8 -36.58 62.47 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.224 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.1 -32.12 72.21 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 -179.749 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.84 0.352 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.38 -24.3 50.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -52.66 7.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.694 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.85 -22.92 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.312 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -71.2 -46.34 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.008 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.416 ' N ' HG12 ' A' ' 7' ' ' VAL . 11.8 t-80 -72.9 -38.54 66.88 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.119 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -65.7 -32.24 73.69 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.515 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -80.14 -28.17 38.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.394 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.12 -51.91 11.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.351 0.596 . . . . 0.0 109.822 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.26 -23.72 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.113 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -71.88 -44.98 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.998 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.432 ' N ' HG12 ' A' ' 7' ' ' VAL . 11.5 t60 -75.1 -35.87 61.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.258 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -31.61 70.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.608 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.067 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.875 0.369 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.02 -21.26 64.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.318 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.51 -52.39 7.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.758 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.1 -24.04 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.094 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.1 t -72.59 -45.83 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.09 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.449 ' N ' HG12 ' A' ' 7' ' ' VAL . 19.5 t60 -74.23 -34.44 63.66 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.191 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -31.03 69.86 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.04 0.448 . . . . 0.0 110.041 179.74 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.35 -21.49 58.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.16 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -52.09 8.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.74 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.84 -23.63 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.368 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -71.65 -45.38 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.116 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.44 ' N ' HG12 ' A' ' 7' ' ' VAL . 13.4 t-80 -73.21 -38.18 66.17 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -29.84 70.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.585 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.198 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.876 0.37 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.48 -25.81 38.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -51.33 10.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.445 0.641 . . . . 0.0 109.807 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.57 -23.42 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.611 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -71.77 -45.71 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.059 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.412 ' N ' HG12 ' A' ' 7' ' ' VAL . 16.2 m80 -72.47 -37.04 68.59 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.065 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -67.53 -32.0 72.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.767 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.795 0.331 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -80.19 -31.07 38.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.33 -51.49 13.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.474 0.654 . . . . 0.0 109.849 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.59 -22.61 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.178 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.2 t -69.83 -44.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.041 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.444 ' N ' HG12 ' A' ' 7' ' ' VAL . 10.9 t-160 -74.56 -36.73 63.09 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.275 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -68.86 -31.79 70.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.695 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.526 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.866 0.365 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -82.96 -26.8 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.237 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.95 -51.69 10.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.84 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -59.53 -24.44 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.202 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -74.35 -44.37 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.253 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.409 ' N ' HG12 ' A' ' 7' ' ' VAL . 32.7 t-80 -75.19 -27.89 59.8 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.148 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -75.45 -31.28 60.25 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.054 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.328 -179.532 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 3' ' ' SER . 16.4 p . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 50.08 10.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 0.0 110.221 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 1' ' ' SER . 76.4 p -63.85 -14.03 49.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.386 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.42 -26.78 41.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.268 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.62 -52.24 10.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.356 0.598 . . . . 0.0 109.933 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.88 -24.17 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.166 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -72.26 -45.87 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.945 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' N ' HG12 ' A' ' 7' ' ' VAL . 11.6 t-160 -74.54 -36.45 63.13 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.25 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' NH2 . 3.8 mm-40 -68.18 -34.33 76.09 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.614 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -75.8 -35.4 60.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.417 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 mt -79.77 -45.65 18.44 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -100.4 -41.06 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.561 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.01 -1.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 3' ' ' SER . 4.3 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 50.4 10.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.188 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.51 ' H ' ' C ' ' A' ' 1' ' ' SER . 78.3 p -67.97 -12.93 61.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.498 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -83.08 -28.8 29.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.427 0.632 . . . . 0.0 109.822 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.21 -24.6 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.253 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -72.62 -45.42 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.159 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' N ' HG12 ' A' ' 7' ' ' VAL . 57.9 t-80 -71.58 -24.67 61.95 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.763 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -82.41 -34.82 28.13 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.058 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -22.57 59.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.85 0.357 . . . . 0.0 110.619 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mt -78.86 -44.07 23.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -90.82 -83.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.389 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.982 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.552 ' O ' ' N ' ' A' ' 3' ' ' SER . 27.7 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 1' ' ' SER . 8.5 ptm180 41.54 18.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.253 0.549 . . . . 0.0 110.762 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 1' ' ' SER . 47.2 t -104.47 -10.23 17.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.436 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.5 -27.72 37.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.344 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.94 -51.15 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.375 0.607 . . . . 0.0 109.744 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.406 HD11 ' NH2' ' A' ' 2' ' ' ARG . 63.6 mt -57.67 -24.99 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.822 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.2 t -72.19 -44.71 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.933 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' PHE . 68.0 m80 -74.8 -36.58 62.47 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.224 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.1 -32.12 72.21 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -78.02 -41.79 34.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.14 -51.6 6.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.608 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 8' ' ' HIS . 0.2 OUTLIER -93.06 10.28 32.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.461 -179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 120.037 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -177.07 6.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.2 0.524 . . . . 0.0 110.244 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -83.56 -16.0 47.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.38 -24.3 50.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.165 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -52.66 7.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.694 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.85 -22.92 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.312 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -71.2 -46.34 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.008 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.416 ' N ' HG12 ' A' ' 7' ' ' VAL . 11.8 t-80 -72.9 -38.54 66.88 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.119 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -65.7 -32.24 73.69 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -76.13 -27.86 57.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.515 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.69 -36.62 65.32 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -101.99 -8.01 21.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.372 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.011 -1.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' H ' ' H ' ' A' ' 3' ' ' SER . 1.9 ptm180 173.65 8.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.418 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.443 ' H ' ' H ' ' A' ' 2' ' ' ARG . 9.4 m -95.39 -12.27 26.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.526 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -80.14 -28.17 38.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.394 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.12 -51.91 11.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.351 0.596 . . . . 0.0 109.822 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.26 -23.72 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.113 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -71.88 -44.98 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.998 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' N ' HG12 ' A' ' 7' ' ' VAL . 11.5 t60 -75.1 -35.87 61.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.258 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -31.61 70.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.608 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -73.1 -36.87 66.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.067 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.7 mt -78.44 -39.82 37.58 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.437 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.27 97.21 4.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 120.04 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 3' ' ' SER . 45.6 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.9 8.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.077 0.465 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.536 ' H ' ' C ' ' A' ' 1' ' ' SER . 6.1 m -63.55 -20.49 65.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.455 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -69.02 -21.26 64.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.318 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.51 -52.39 7.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.758 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.1 -24.04 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.094 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.1 t -72.59 -45.83 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.09 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.565 ' CE1' ' CE1' ' A' ' 12' ' ' PHE . 19.5 t60 -74.23 -34.44 63.66 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.191 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -31.03 69.86 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -69.28 -33.03 72.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.04 0.448 . . . . 0.0 110.041 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.75 -43.28 25.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' CE1' ' CE1' ' A' ' 8' ' ' HIS . 18.0 m-85 -85.62 148.8 25.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.07 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 176.13 9.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.024 0.44 . . . . 0.0 110.491 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m -69.58 -18.36 63.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.498 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.35 -21.49 58.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.16 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -52.09 8.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.74 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.84 -23.63 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.368 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.0 OUTLIER -71.65 -45.38 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.116 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.44 ' N ' HG12 ' A' ' 7' ' ' VAL . 13.4 t-80 -73.21 -38.18 66.17 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -29.84 70.83 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.585 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -70.54 -29.36 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.198 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.8 mt -78.6 -44.68 23.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.296 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -95.44 -72.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.36 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.8 p . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.454 ' H ' ' H ' ' A' ' 3' ' ' SER . 1.0 OUTLIER 175.66 8.02 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.467 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.454 ' H ' ' H ' ' A' ' 2' ' ' ARG . 63.8 p -89.61 -14.85 34.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.522 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.48 -25.81 38.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -51.33 10.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.445 0.641 . . . . 0.0 109.807 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.57 -23.42 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.611 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -71.77 -45.71 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.059 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' A' ' 12' ' ' PHE . 16.2 m80 -72.47 -37.04 68.59 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.065 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -67.53 -32.0 72.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -82.51 -47.26 12.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.4 mt -80.2 -45.65 17.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.438 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' HIS . 75.6 t80 39.43 82.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.003 -1.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 177.8 8.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.151 0.5 . . . . 0.0 110.473 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -82.71 -9.53 59.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.625 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -80.19 -31.07 38.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.33 -51.49 13.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.474 0.654 . . . . 0.0 109.849 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.59 -22.61 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.178 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 8' ' ' HIS . 1.2 t -69.83 -44.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.041 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.527 ' NE2' ' CE1' ' A' ' 12' ' ' PHE . 10.9 t-160 -74.56 -36.73 63.09 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.275 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -68.86 -31.79 70.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.695 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -72.92 -27.77 62.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mt -73.25 -34.43 65.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.292 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE1' ' NE2' ' A' ' 8' ' ' HIS . 7.0 m-85 -84.08 -58.09 2.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.403 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.08 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.424 ' H ' ' H ' ' A' ' 3' ' ' SER . 0.7 OUTLIER 175.45 9.08 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.458 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.424 ' H ' ' H ' ' A' ' 2' ' ' ARG . 8.6 t -65.15 -14.34 60.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -82.96 -26.8 31.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.237 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.95 -51.69 10.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.84 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.3 mt -59.53 -24.44 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.202 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -74.35 -44.37 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.253 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.409 ' N ' HG12 ' A' ' 7' ' ' VAL . 32.7 t-80 -75.19 -27.89 59.8 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.148 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -75.45 -31.28 60.25 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.054 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -69.58 -22.65 63.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.328 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.64 -41.34 31.74 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.431 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -81.08 -27.05 35.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.502 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.967 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_