data_6csk_residue ############################ # Computer software used # ############################ 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 6csk _Structure_validation_residue.Date_analyzed 2019-09-20 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 ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 C--O 1.235 0.34 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.53 -35.93 90.2 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.162 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.9 -46.01 82.24 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 122.365 0.266 . . . . 0.0 111.037 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.04 -37.86 75.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.052 0.453 . . . . 0.0 111.171 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.81 -47.32 83.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -72.24 -28.88 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.257 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.34 -39.56 81.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 -28.99 64.39 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.977 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.95 -42.68 72.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.894 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.67 57.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.358 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.238 0.474 0 C-N-CA 123.502 0.721 . . . . 0.0 111.194 -178.895 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 121.115 0.484 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -64.62 -40.98 97.97 Favored Glycine 0 CA--C 1.5 -0.905 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.426 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -67.07 -41.1 87.0 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.87 -48.64 78.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.17 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 tt -60.86 -37.37 76.48 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.703 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 9' ' ' GLY . 63.1 mtp180 -60.78 -54.88 39.78 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.26 -34.69 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.38 60.26 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -33.1 74.94 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.523 0.678 . . . . 0.0 110.163 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -23.56 47.39 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.149 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.319 -0.739 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -176.724 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.501 ' O ' HG12 ' A' ' 12' ' ' ILE . 96.4 mt . . . . . 0 CA--C 1.518 -0.271 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.94 -37.06 93.75 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.689 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.33 -39.99 94.9 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.197 0.599 . . . . 0.0 109.997 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -66.84 -40.24 87.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 8' ' ' LEU . 45.5 mm -65.37 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 CA-C-O 121.75 0.786 . . . . 0.0 109.372 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.31 -31.59 62.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.043 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.79 -33.65 72.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.47 -49.38 66.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.89 -30.73 71.37 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.857 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 -26.22 66.15 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.001 0.429 . . . . 0.0 111.088 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 . . . . . 0 C--N 1.316 -0.854 0 CA-C-O 121.636 0.732 . . . . 0.0 109.766 -179.311 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.3 tp . . . . . 0 C--O 1.235 0.306 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -63.99 -33.98 88.69 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.047 -0.979 . . . . 0.0 112.113 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.84 -44.37 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.093 0.557 . . . . 0.0 109.824 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.02 -37.0 85.83 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.37 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.4 mt -66.74 -40.68 86.61 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 9' ' ' GLY . 4.0 mmp_? -55.7 -48.61 74.83 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.065 0.546 . . . . 0.0 110.691 177.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.01 -42.07 94.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.648 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.12 89.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.09 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.38 78.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.581 0.753 . . . . 0.0 111.759 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -33.36 52.97 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.18 0.514 . . . . 0.0 110.066 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.8 t80 . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.93 -174.69 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 tp . . . . . 0 C--O 1.237 0.429 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.02 -29.34 74.79 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.22 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -55.09 -43.73 74.22 Favored 'General case' 0 C--O 1.214 -0.805 0 C-N-CA 123.89 0.876 . . . . 0.0 110.869 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.83 -34.86 78.74 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 110.569 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.31 -50.15 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.3 -39.73 95.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.56 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.22 -53.48 57.2 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.64 0.587 . . . . 0.0 109.62 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.93 97.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.53 -26.93 67.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.142 0.577 . . . . 0.0 112.157 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.74 -24.82 56.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 120.667 0.27 . . . . 0.0 111.198 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.419 -2.022 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 177.175 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.74 -39.49 91.39 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.805 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -48.47 64.07 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.292 1.037 . . . . 0.0 110.86 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -77.45 -34.69 54.42 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.323 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mm -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -53.88 -45.5 71.05 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.385 0.674 . . . . 0.0 110.796 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.48 -44.9 77.4 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.557 0.536 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.04 94.88 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.39 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -25.7 54.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.373 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.61 -23.8 36.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.094 0.473 . . . . 0.0 110.459 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.8 t80 . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.279 179.849 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 tp . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.667 -0.123 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.5 -52.38 33.36 Favored Glycine 0 N--CA 1.452 -0.288 0 O-C-N 123.815 0.697 . . . . 0.0 113.495 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HD2' ' H ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.55 -34.28 69.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.28 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -65.93 -45.5 81.64 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 tt -70.23 -38.77 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.35 . . . . 0.0 111.389 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.01 -32.16 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.334 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.63 -38.45 73.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.42 98.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.16 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.31 94.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.584 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.48 68.75 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.12 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--N 1.32 -0.688 0 C-N-CA 123.402 0.681 . . . . 0.0 111.034 -179.399 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 12' ' ' ILE . 58.9 tp . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.42 -37.33 91.88 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.389 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.7 -39.83 92.85 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.54 -38.67 67.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.374 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 8' ' ' LEU . 47.8 mm -60.79 -49.1 85.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.477 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -69.03 -31.56 70.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.83 -46.28 88.68 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.72 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.73 70.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.428 0.632 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.44 -24.1 29.68 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.958 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 C--N 1.322 -0.611 0 C-N-CA 123.702 0.801 . . . . 0.0 110.877 -177.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.236 0.352 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.05 -30.91 54.73 Favored Glycine 0 N--CA 1.439 -1.152 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.02 -34.6 71.46 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.803 -0.199 . . . . 0.0 110.708 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -59.71 -28.85 67.68 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 122.098 -0.376 . . . . 0.0 110.721 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -63.26 -48.38 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.213 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -67.82 -31.11 70.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.416 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.59 -37.62 82.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.637 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -43.65 67.69 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.56 -29.03 66.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.093 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.08 -24.18 30.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.975 -179.487 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 12' ' ' ILE . 55.9 tp . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.41 94.66 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.602 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -59.62 -46.79 87.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.642 0.377 . . . . 0.0 110.551 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -64.86 -36.39 84.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.2 mt -63.74 -46.84 93.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.296 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -69.71 -31.75 69.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.428 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.73 -50.83 67.59 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.94 83.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.349 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.83 96.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.36 -23.87 29.97 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.416 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.469 0.477 0 C-N-CA 124.362 1.065 . . . . 0.0 112.826 -176.865 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.437 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 35.5 Cg_exo . . . . . 0 N--CA 1.443 -1.487 0 N-CA-C 110.218 -0.724 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.7 tpt -61.18 -40.71 94.93 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 124.171 0.988 . . . . 0.0 111.494 -175.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -64.9 -32.37 74.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.294 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.9 -28.68 43.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 1' ' ' PRO . 81.8 mt -68.06 -27.62 66.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.529 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -64.31 -43.76 93.7 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -68.67 -35.28 77.03 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.222 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.13 -52.74 25.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.356 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.53 -35.93 90.2 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.162 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.9 -46.01 82.24 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 122.365 0.266 . . . . 0.0 111.037 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.04 -37.86 75.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.052 0.453 . . . . 0.0 111.171 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.81 -47.32 83.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -72.24 -28.88 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.257 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.34 -39.56 81.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 -28.99 64.39 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.977 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.95 -42.68 72.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.894 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.67 57.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.358 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -53.72 -54.22 41.08 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.502 0.721 . . . . 0.0 111.194 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.947 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 N--CA 1.452 -0.956 0 N-CA-C 110.721 -0.53 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.2 mmt -58.3 -31.61 67.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -61.08 -28.13 68.86 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.7 mt -74.82 -33.48 62.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.961 0.41 . . . . 0.0 110.215 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.02 -29.93 67.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.568 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -73.92 -29.03 61.82 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.949 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 64.7 mtm180 -64.11 -44.99 90.59 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.95 -33.6 76.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.775 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -64.62 -40.98 97.97 Favored Glycine 0 CA--C 1.5 -0.905 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.426 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -67.07 -41.1 87.0 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 7' ' ' ARG . 74.4 mmtt -62.87 -48.64 78.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.17 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 tt -60.86 -37.37 76.48 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.703 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 9' ' ' GLY . 63.1 mtp180 -60.78 -54.88 39.78 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.26 -34.69 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.38 60.26 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -33.1 74.94 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.523 0.678 . . . . 0.0 110.163 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -23.56 47.39 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.149 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -73.79 -49.2 26.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.421 -1.919 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.664 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo . . . . . 0 N--CA 1.442 -1.533 0 N-CA-C 109.166 -1.129 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.2 ttt -74.27 -18.8 60.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.877 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -46.46 -48.68 18.96 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.304 0.642 . . . . 0.0 112.301 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 3.9 pp -69.9 -30.38 67.79 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.9 mt -70.49 -40.75 73.4 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.06 -37.54 84.2 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.663 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -62.94 -38.77 92.37 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.367 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 96.4 mt -61.86 -52.38 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.08 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.94 -37.06 93.75 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.689 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.33 -39.99 94.9 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.197 0.599 . . . . 0.0 109.997 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -66.84 -40.24 87.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 8' ' ' LEU . 45.5 mm -65.37 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 CA-C-O 121.75 0.786 . . . . 0.0 109.372 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.31 -31.59 62.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.043 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.79 -33.65 72.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.47 -49.38 66.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.89 -30.73 71.37 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.857 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 -26.22 66.15 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.001 0.429 . . . . 0.0 111.088 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -82.28 -17.49 45.72 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.636 0.732 . . . . 0.0 109.766 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.444 176.271 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo . . . . . 0 N--CA 1.44 -1.632 0 N-CA-C 109.936 -0.832 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 15.5 tpt -65.59 -33.06 75.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.946 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -58.03 -49.0 78.38 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.51 0.671 . . . . 0.0 109.977 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.3 mt -73.01 -28.86 62.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.863 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.03 -40.72 87.27 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -73.4 -34.66 65.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -66.74 -41.67 87.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.132 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.3 tp -66.63 -42.6 86.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -63.99 -33.98 88.69 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.047 -0.979 . . . . 0.0 112.113 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.84 -44.37 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.093 0.557 . . . . 0.0 109.824 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.02 -37.0 85.83 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.37 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.4 mt -66.74 -40.68 86.61 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 9' ' ' GLY . 4.0 mmp_? -55.7 -48.61 74.83 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.065 0.546 . . . . 0.0 110.691 177.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.01 -42.07 94.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.648 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.12 89.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.09 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.38 78.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.581 0.753 . . . . 0.0 111.759 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -33.36 52.97 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.18 0.514 . . . . 0.0 110.066 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -71.79 -40.94 68.86 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.93 -174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' ' 19' ' ' LYS . 12.1 ptmm? . . . . . 0 C--O 1.251 1.182 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo . . . . . 0 N--CA 1.439 -1.696 0 N-CA-C 109.91 -0.842 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -77.48 -22.32 51.5 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -53.29 -61.31 2.38 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.54 -24.4 56.74 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.1 tp -67.17 -47.25 71.54 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.567 0.698 . . . . 0.0 109.742 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -73.29 -30.04 63.13 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.048 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -74.13 -29.05 61.63 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.224 0.535 . . . . 0.0 109.568 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 tp -70.18 -48.34 57.68 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 174.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.02 -29.34 74.79 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.22 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -55.09 -43.73 74.22 Favored 'General case' 0 C--O 1.214 -0.805 0 C-N-CA 123.89 0.876 . . . . 0.0 110.869 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.83 -34.86 78.74 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 110.569 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.31 -50.15 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.3 -39.73 95.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.56 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.22 -53.48 57.2 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.64 0.587 . . . . 0.0 109.62 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -62.33 -43.93 97.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.53 -26.93 67.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.142 0.577 . . . . 0.0 112.157 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.74 -24.82 56.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 120.667 0.27 . . . . 0.0 111.198 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -82.75 -19.05 38.63 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.8 mmmt . . . . . 0 C--O 1.262 1.745 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.401 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 2.0 Cg_endo . . . . . 0 N--CA 1.437 -1.821 0 N-CA-C 108.352 -1.442 . . . . 0.0 108.352 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -68.48 -35.64 77.84 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -171.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -69.63 -35.47 75.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.207 0.527 . . . . 0.0 110.797 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.3 mt -75.72 -29.15 58.84 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.076 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 1' ' ' PRO . 87.3 mt -73.24 -26.59 61.18 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.817 174.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -70.18 -27.77 64.78 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.761 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -75.38 -37.61 60.47 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.13 -52.95 60.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.197 175.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.74 -39.49 91.39 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.805 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -48.47 64.07 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.292 1.037 . . . . 0.0 110.86 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -77.45 -34.69 54.42 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.323 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mm -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -53.88 -45.5 71.05 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.385 0.674 . . . . 0.0 110.796 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.48 -44.9 77.4 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.557 0.536 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.04 94.88 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.39 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -25.7 54.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.373 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.61 -23.8 36.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.094 0.473 . . . . 0.0 110.459 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -68.34 -37.38 80.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.279 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt . . . . . 0 C--N 1.312 -1.024 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.276 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.449 -1.141 0 N-CA-C 109.742 -0.907 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -53.81 -35.91 61.92 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 124.419 1.088 . . . . 0.0 112.255 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -57.26 -29.88 64.2 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.04 -37.43 26.47 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.323 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -67.38 -36.35 81.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.496 0.665 . . . . 0.0 109.243 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -65.11 -41.47 94.9 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.592 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -60.86 -42.17 97.35 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.875 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 tp -71.51 -31.48 67.13 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.667 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.5 -52.38 33.36 Favored Glycine 0 N--CA 1.452 -0.288 0 O-C-N 123.815 0.697 . . . . 0.0 113.495 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HD2' ' H ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.55 -34.28 69.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.28 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -65.93 -45.5 81.64 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 tt -70.23 -38.77 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.35 . . . . 0.0 111.389 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.01 -32.16 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.334 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.63 -38.45 73.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.42 98.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.16 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.31 94.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.584 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.48 68.75 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.12 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -67.76 -28.0 67.25 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.402 0.681 . . . . 0.0 111.034 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.073 177.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.444 -1.439 0 N-CA-C 109.236 -1.101 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -69.17 -49.58 55.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 97.9 mttt -78.45 -62.61 1.63 Allowed 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -171.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.475 HD21 ' H ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -60.27 -31.86 70.63 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -174.091 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.3 tp -68.42 -38.38 81.18 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.619 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -78.15 -31.66 49.87 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.395 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 76.8 mtp180 -68.73 -42.62 77.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 12' ' ' ILE . 58.9 tp -59.45 -45.82 90.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.525 -0.761 . . . . 0.0 108.965 175.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.42 -37.33 91.88 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.389 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.7 -39.83 92.85 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.54 -38.67 67.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.374 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 8' ' ' LEU . 47.8 mm -60.79 -49.1 85.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.477 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -69.03 -31.56 70.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.83 -46.28 88.68 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.72 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.73 70.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.428 0.632 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.44 -24.1 29.68 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.958 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.41 -38.13 89.02 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.702 0.801 . . . . 0.0 110.877 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? . . . . . 0 C--O 1.255 1.344 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.163 178.706 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.442 -1.532 0 N-CA-C 109.336 -1.063 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 82.6 mmm -71.32 -22.55 61.92 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.85 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -56.98 -31.42 65.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.563 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.5 mt -69.8 -34.79 74.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.086 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -76.1 -30.66 58.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.805 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -60.18 -36.33 77.36 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.96 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -64.08 -30.21 71.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.051 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.49 -33.87 74.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.05 -30.91 54.73 Favored Glycine 0 N--CA 1.439 -1.152 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.02 -34.6 71.46 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.803 -0.199 . . . . 0.0 110.708 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -59.71 -28.85 67.68 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 122.098 -0.376 . . . . 0.0 110.721 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -63.26 -48.38 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.213 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -67.82 -31.11 70.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.416 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.59 -37.62 82.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.637 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -43.65 67.69 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.56 -29.03 66.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.093 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.08 -24.18 30.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -68.6 -41.5 79.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.975 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? . . . . . 0 N--CA 1.426 -1.656 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.096 178.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 N--CA 1.451 -0.982 0 CA-C-O 119.869 -0.138 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.489 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 27.5 ptm -67.93 -31.42 71.16 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 121.897 -0.502 . . . . 0.0 111.231 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.41 -32.53 74.19 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.414 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.52 -35.91 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.56 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.24 -45.49 80.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.839 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 2' ' ' MET . 26.8 mtpp -68.65 -31.83 71.25 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.654 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.12 -40.18 86.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 12' ' ' ILE . 55.9 tp -62.6 -43.62 98.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.221 175.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.41 94.66 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.602 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -59.62 -46.79 87.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.642 0.377 . . . . 0.0 110.551 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -64.86 -36.39 84.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.2 mt -63.74 -46.84 93.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.296 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -69.71 -31.75 69.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.428 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.73 -50.83 67.59 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.94 83.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.349 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.83 96.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.36 -23.87 29.97 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.416 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -51.64 -56.04 15.88 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.362 1.065 . . . . 0.0 112.826 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -1.004 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.56 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 C--O 1.235 0.34 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.53 -35.93 90.2 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.162 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.9 -46.01 82.24 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 122.365 0.266 . . . . 0.0 111.037 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.04 -37.86 75.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.052 0.453 . . . . 0.0 111.171 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.81 -47.32 83.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -72.24 -28.88 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.257 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.34 -39.56 81.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 -28.99 64.39 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.977 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.95 -42.68 72.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.894 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.67 57.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.358 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.238 0.474 0 C-N-CA 123.502 0.721 . . . . 0.0 111.194 -178.895 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 121.115 0.484 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.62 -40.98 97.97 Favored Glycine 0 CA--C 1.5 -0.905 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.426 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -67.07 -41.1 87.0 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.87 -48.64 78.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.17 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 tt -60.86 -37.37 76.48 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.703 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -60.78 -54.88 39.78 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.26 -34.69 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.38 60.26 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -33.1 74.94 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.523 0.678 . . . . 0.0 110.163 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -23.56 47.39 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.149 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.319 -0.739 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -176.724 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 12' ' ' ILE . 96.4 mt . . . . . 0 CA--C 1.518 -0.271 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.94 -37.06 93.75 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.689 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.33 -39.99 94.9 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.197 0.599 . . . . 0.0 109.997 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -66.84 -40.24 87.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 8' ' ' LEU . 45.5 mm -65.37 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 CA-C-O 121.75 0.786 . . . . 0.0 109.372 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.31 -31.59 62.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.043 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.79 -33.65 72.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.47 -49.38 66.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.89 -30.73 71.37 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.857 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 -26.22 66.15 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.001 0.429 . . . . 0.0 111.088 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 . . . . . 0 C--N 1.316 -0.854 0 CA-C-O 121.636 0.732 . . . . 0.0 109.766 -179.311 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.3 tp . . . . . 0 C--O 1.235 0.306 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -63.99 -33.98 88.69 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.047 -0.979 . . . . 0.0 112.113 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.84 -44.37 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.093 0.557 . . . . 0.0 109.824 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.02 -37.0 85.83 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.37 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.4 mt -66.74 -40.68 86.61 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 9' ' ' GLY . 4.0 mmp_? -55.7 -48.61 74.83 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.065 0.546 . . . . 0.0 110.691 177.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.01 -42.07 94.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.648 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.12 89.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.09 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.38 78.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.581 0.753 . . . . 0.0 111.759 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -33.36 52.97 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.18 0.514 . . . . 0.0 110.066 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.8 t80 . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.93 -174.69 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 tp . . . . . 0 C--O 1.237 0.429 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.02 -29.34 74.79 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.22 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -55.09 -43.73 74.22 Favored 'General case' 0 C--O 1.214 -0.805 0 C-N-CA 123.89 0.876 . . . . 0.0 110.869 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.83 -34.86 78.74 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 110.569 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.31 -50.15 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.3 -39.73 95.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.56 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.22 -53.48 57.2 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.64 0.587 . . . . 0.0 109.62 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.93 97.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.53 -26.93 67.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.142 0.577 . . . . 0.0 112.157 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.74 -24.82 56.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 120.667 0.27 . . . . 0.0 111.198 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.419 -2.022 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 177.175 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 12' ' ' ILE . 57.7 tp . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.74 -39.49 91.39 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.805 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -48.47 64.07 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.292 1.037 . . . . 0.0 110.86 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -77.45 -34.69 54.42 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.323 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' LEU . 49.0 mm -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -53.88 -45.5 71.05 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.385 0.674 . . . . 0.0 110.796 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.48 -44.9 77.4 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.557 0.536 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.04 94.88 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.39 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -25.7 54.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.373 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.61 -23.8 36.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.094 0.473 . . . . 0.0 110.459 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.8 t80 . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.279 179.849 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 tp . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.667 -0.123 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.5 -52.38 33.36 Favored Glycine 0 N--CA 1.452 -0.288 0 O-C-N 123.815 0.697 . . . . 0.0 113.495 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.551 ' HD2' ' H ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.55 -34.28 69.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.28 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -65.93 -45.5 81.64 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 tt -70.23 -38.77 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.35 . . . . 0.0 111.389 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.01 -32.16 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.334 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.63 -38.45 73.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.42 98.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.16 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.31 94.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.584 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.48 68.75 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.12 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--N 1.32 -0.688 0 C-N-CA 123.402 0.681 . . . . 0.0 111.034 -179.399 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.588 ' O ' HG12 ' A' ' 12' ' ' ILE . 58.9 tp . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.42 -37.33 91.88 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.389 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.7 -39.83 92.85 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.54 -38.67 67.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.374 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 8' ' ' LEU . 47.8 mm -60.79 -49.1 85.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.477 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -69.03 -31.56 70.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.83 -46.28 88.68 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.72 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.73 70.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.428 0.632 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.44 -24.1 29.68 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.958 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 C--N 1.322 -0.611 0 C-N-CA 123.702 0.801 . . . . 0.0 110.877 -177.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.236 0.352 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.05 -30.91 54.73 Favored Glycine 0 N--CA 1.439 -1.152 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.02 -34.6 71.46 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.803 -0.199 . . . . 0.0 110.708 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -59.71 -28.85 67.68 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 122.098 -0.376 . . . . 0.0 110.721 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -63.26 -48.38 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.213 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -67.82 -31.11 70.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.416 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.59 -37.62 82.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.637 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -43.65 67.69 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.56 -29.03 66.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.093 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.08 -24.18 30.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.975 -179.487 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 12' ' ' ILE . 55.9 tp . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.41 94.66 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.602 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -59.62 -46.79 87.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.642 0.377 . . . . 0.0 110.551 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -64.86 -36.39 84.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.2 mt -63.74 -46.84 93.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.296 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -69.71 -31.75 69.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.428 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.73 -50.83 67.59 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.94 83.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.349 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.83 96.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.36 -23.87 29.97 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.416 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.469 0.477 0 C-N-CA 124.362 1.065 . . . . 0.0 112.826 -176.865 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.45 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 35.5 Cg_exo . . . . . 0 N--CA 1.443 -1.487 0 N-CA-C 110.218 -0.724 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.7 tpt -61.18 -40.71 94.93 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 124.171 0.988 . . . . 0.0 111.494 -175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -64.9 -32.37 74.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.294 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.9 -28.68 43.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 1' ' ' PRO . 81.8 mt -68.06 -27.62 66.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.529 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -64.31 -43.76 93.7 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -68.67 -35.28 77.03 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.222 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.13 -52.74 25.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.356 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.53 -35.93 90.2 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.162 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.9 -46.01 82.24 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 122.365 0.266 . . . . 0.0 111.037 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.04 -37.86 75.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.052 0.453 . . . . 0.0 111.171 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.81 -47.32 83.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -72.24 -28.88 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.257 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.34 -39.56 81.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 -28.99 64.39 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.977 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.95 -42.68 72.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.894 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.67 57.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.358 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -53.72 -54.22 41.08 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.502 0.721 . . . . 0.0 111.194 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.947 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 N--CA 1.452 -0.956 0 N-CA-C 110.721 -0.53 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.2 mmt -58.3 -31.61 67.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -61.08 -28.13 68.86 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.7 mt -74.82 -33.48 62.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.961 0.41 . . . . 0.0 110.215 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.02 -29.93 67.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.568 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -73.92 -29.03 61.82 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.949 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 64.7 mtm180 -64.11 -44.99 90.59 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.95 -33.6 76.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.775 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.62 -40.98 97.97 Favored Glycine 0 CA--C 1.5 -0.905 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.426 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -67.07 -41.1 87.0 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 7' ' ' ARG . 74.4 mmtt -62.87 -48.64 78.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.17 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 tt -60.86 -37.37 76.48 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.703 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -60.78 -54.88 39.78 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.26 -34.69 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.38 60.26 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -33.1 74.94 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.523 0.678 . . . . 0.0 110.163 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -23.56 47.39 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.149 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -73.79 -49.2 26.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.421 -1.919 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.664 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo . . . . . 0 N--CA 1.442 -1.533 0 N-CA-C 109.166 -1.129 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.2 ttt -74.27 -18.8 60.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.877 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -46.46 -48.68 18.96 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.304 0.642 . . . . 0.0 112.301 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 3.9 pp -69.9 -30.38 67.79 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.9 mt -70.49 -40.75 73.4 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.06 -37.54 84.2 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.663 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -62.94 -38.77 92.37 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.367 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 96.4 mt -61.86 -52.38 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.08 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.94 -37.06 93.75 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.689 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.33 -39.99 94.9 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.197 0.599 . . . . 0.0 109.997 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -66.84 -40.24 87.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 8' ' ' LEU . 45.5 mm -65.37 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 CA-C-O 121.75 0.786 . . . . 0.0 109.372 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.31 -31.59 62.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.043 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.79 -33.65 72.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.47 -49.38 66.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.89 -30.73 71.37 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.857 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 -26.22 66.15 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.001 0.429 . . . . 0.0 111.088 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -82.28 -17.49 45.72 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.636 0.732 . . . . 0.0 109.766 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.444 176.271 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo . . . . . 0 N--CA 1.44 -1.632 0 N-CA-C 109.936 -0.832 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 15.5 tpt -65.59 -33.06 75.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.946 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -58.03 -49.0 78.38 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.51 0.671 . . . . 0.0 109.977 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.3 mt -73.01 -28.86 62.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.863 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.03 -40.72 87.27 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -73.4 -34.66 65.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -66.74 -41.67 87.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.132 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.3 tp -66.63 -42.6 86.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -63.99 -33.98 88.69 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.047 -0.979 . . . . 0.0 112.113 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.84 -44.37 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.093 0.557 . . . . 0.0 109.824 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.02 -37.0 85.83 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.37 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.4 mt -66.74 -40.68 86.61 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 9' ' ' GLY . 4.0 mmp_? -55.7 -48.61 74.83 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.065 0.546 . . . . 0.0 110.691 177.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.01 -42.07 94.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.648 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.12 89.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.09 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . . . -60.51 -36.38 78.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.581 0.753 . . . . 0.0 111.759 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -33.36 52.97 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.18 0.514 . . . . 0.0 110.066 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -71.79 -40.94 68.86 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.93 -174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 12.1 ptmm? . . . . . 0 C--O 1.251 1.182 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo . . . . . 0 N--CA 1.439 -1.696 0 N-CA-C 109.91 -0.842 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -77.48 -22.32 51.5 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -53.29 -61.31 2.38 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.54 -24.4 56.74 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.1 tp -67.17 -47.25 71.54 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.567 0.698 . . . . 0.0 109.742 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -73.29 -30.04 63.13 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.048 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -74.13 -29.05 61.63 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.224 0.535 . . . . 0.0 109.568 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 tp -70.18 -48.34 57.68 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 174.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.02 -29.34 74.79 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.22 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -55.09 -43.73 74.22 Favored 'General case' 0 C--O 1.214 -0.805 0 C-N-CA 123.89 0.876 . . . . 0.0 110.869 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.83 -34.86 78.74 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 110.569 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.31 -50.15 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.3 -39.73 95.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.56 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.22 -53.48 57.2 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.64 0.587 . . . . 0.0 109.62 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -62.33 -43.93 97.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.53 -26.93 67.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.142 0.577 . . . . 0.0 112.157 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.74 -24.82 56.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 120.667 0.27 . . . . 0.0 111.198 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -82.75 -19.05 38.63 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.8 mmmt . . . . . 0 C--O 1.262 1.745 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.408 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 2.0 Cg_endo . . . . . 0 N--CA 1.437 -1.821 0 N-CA-C 108.352 -1.442 . . . . 0.0 108.352 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -68.48 -35.64 77.84 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -171.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -69.63 -35.47 75.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.207 0.527 . . . . 0.0 110.797 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.3 mt -75.72 -29.15 58.84 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.076 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 1' ' ' PRO . 87.3 mt -73.24 -26.59 61.18 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.817 174.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -70.18 -27.77 64.78 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.761 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -75.38 -37.61 60.47 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 12' ' ' ILE . 57.7 tp -63.13 -52.95 60.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.197 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.74 -39.49 91.39 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.805 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -48.47 64.07 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.292 1.037 . . . . 0.0 110.86 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -77.45 -34.69 54.42 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.323 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' LEU . 49.0 mm -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -53.88 -45.5 71.05 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.385 0.674 . . . . 0.0 110.796 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.48 -44.9 77.4 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.557 0.536 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.04 94.88 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.39 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -25.7 54.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.373 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.61 -23.8 36.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.094 0.473 . . . . 0.0 110.459 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -68.34 -37.38 80.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.279 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt . . . . . 0 C--N 1.312 -1.024 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.276 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.449 -1.141 0 N-CA-C 109.742 -0.907 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -53.81 -35.91 61.92 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 124.419 1.088 . . . . 0.0 112.255 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -57.26 -29.88 64.2 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.04 -37.43 26.47 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.323 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -67.38 -36.35 81.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.496 0.665 . . . . 0.0 109.243 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -65.11 -41.47 94.9 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.592 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -60.86 -42.17 97.35 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.875 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 tp -71.51 -31.48 67.13 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.667 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.5 -52.38 33.36 Favored Glycine 0 N--CA 1.452 -0.288 0 O-C-N 123.815 0.697 . . . . 0.0 113.495 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.551 ' HD2' ' H ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.55 -34.28 69.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.28 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -65.93 -45.5 81.64 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 tt -70.23 -38.77 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.35 . . . . 0.0 111.389 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.01 -32.16 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.334 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.63 -38.45 73.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.42 98.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.16 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.31 94.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.584 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.48 68.75 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.12 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -67.76 -28.0 67.25 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.402 0.681 . . . . 0.0 111.034 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.073 177.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.444 -1.439 0 N-CA-C 109.236 -1.101 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -69.17 -49.58 55.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 97.9 mttt -78.45 -62.61 1.63 Allowed 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -171.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.582 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -60.27 -31.86 70.63 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -174.091 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.3 tp -68.42 -38.38 81.18 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.619 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -78.15 -31.66 49.87 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.395 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 76.8 mtp180 -68.73 -42.62 77.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.588 ' O ' HG12 ' A' ' 12' ' ' ILE . 58.9 tp -59.45 -45.82 90.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.525 -0.761 . . . . 0.0 108.965 175.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.42 -37.33 91.88 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.389 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.7 -39.83 92.85 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.54 -38.67 67.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.374 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 8' ' ' LEU . 47.8 mm -60.79 -49.1 85.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.477 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -69.03 -31.56 70.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.83 -46.28 88.68 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.72 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.73 70.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.428 0.632 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.44 -24.1 29.68 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.958 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.41 -38.13 89.02 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.702 0.801 . . . . 0.0 110.877 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? . . . . . 0 C--O 1.255 1.344 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.163 178.706 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.442 -1.532 0 N-CA-C 109.336 -1.063 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.406 ' HA ' HD23 ' A' ' 5' ' ' LEU . 82.6 mmm -71.32 -22.55 61.92 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.85 -175.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -56.98 -31.42 65.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.563 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.5 mt -69.8 -34.79 74.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.086 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 2' ' ' MET . 3.1 mm? -76.1 -30.66 58.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.805 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -60.18 -36.33 77.36 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.96 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -64.08 -30.21 71.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.051 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.49 -33.87 74.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.05 -30.91 54.73 Favored Glycine 0 N--CA 1.439 -1.152 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.02 -34.6 71.46 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.803 -0.199 . . . . 0.0 110.708 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -59.71 -28.85 67.68 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 122.098 -0.376 . . . . 0.0 110.721 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -63.26 -48.38 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.213 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -67.82 -31.11 70.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.416 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.59 -37.62 82.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.637 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -43.65 67.69 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.56 -29.03 66.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.093 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.08 -24.18 30.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -68.6 -41.5 79.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.975 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 19' ' ' LYS . 12.6 ptmm? . . . . . 0 N--CA 1.426 -1.656 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.096 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 N--CA 1.451 -0.982 0 CA-C-O 119.869 -0.138 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.495 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 27.5 ptm -67.93 -31.42 71.16 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 121.897 -0.502 . . . . 0.0 111.231 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.41 -32.53 74.19 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.414 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.52 -35.91 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.56 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.24 -45.49 80.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.839 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 2' ' ' MET . 26.8 mtpp -68.65 -31.83 71.25 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.654 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.12 -40.18 86.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 12' ' ' ILE . 55.9 tp -62.6 -43.62 98.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.221 175.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.41 94.66 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.602 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -59.62 -46.79 87.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.642 0.377 . . . . 0.0 110.551 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -64.86 -36.39 84.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.2 mt -63.74 -46.84 93.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.296 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -69.71 -31.75 69.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.428 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.73 -50.83 67.59 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.94 83.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.349 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.83 96.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.36 -23.87 29.97 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.416 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -51.64 -56.04 15.88 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.362 1.065 . . . . 0.0 112.826 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -1.004 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.56 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 C--O 1.235 0.34 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.53 -35.93 90.2 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.162 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.9 -46.01 82.24 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 122.365 0.266 . . . . 0.0 111.037 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.04 -37.86 75.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.052 0.453 . . . . 0.0 111.171 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.81 -47.32 83.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -72.24 -28.88 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.257 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.34 -39.56 81.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 -28.99 64.39 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.977 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.95 -42.68 72.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.894 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.67 57.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.358 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.238 0.474 0 C-N-CA 123.502 0.721 . . . . 0.0 111.194 -178.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 121.115 0.484 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.62 -40.98 97.97 Favored Glycine 0 CA--C 1.5 -0.905 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.426 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -67.07 -41.1 87.0 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.87 -48.64 78.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.17 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 tt -60.86 -37.37 76.48 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.703 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -60.78 -54.88 39.78 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.26 -34.69 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.38 60.26 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -33.1 74.94 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.523 0.678 . . . . 0.0 110.163 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -23.56 47.39 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.149 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.319 -0.739 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -176.724 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 12' ' ' ILE . 96.4 mt . . . . . 0 CA--C 1.518 -0.271 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.94 -37.06 93.75 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.689 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.33 -39.99 94.9 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.197 0.599 . . . . 0.0 109.997 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -66.84 -40.24 87.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 8' ' ' LEU . 45.5 mm -65.37 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 CA-C-O 121.75 0.786 . . . . 0.0 109.372 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.31 -31.59 62.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.043 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.79 -33.65 72.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.47 -49.38 66.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.89 -30.73 71.37 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.857 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 -26.22 66.15 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.001 0.429 . . . . 0.0 111.088 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 . . . . . 0 C--N 1.316 -0.854 0 CA-C-O 121.636 0.732 . . . . 0.0 109.766 -179.311 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.3 tp . . . . . 0 C--O 1.235 0.306 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -63.99 -33.98 88.69 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.047 -0.979 . . . . 0.0 112.113 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.84 -44.37 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.093 0.557 . . . . 0.0 109.824 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.02 -37.0 85.83 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.37 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.4 mt -66.74 -40.68 86.61 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 9' ' ' GLY . 4.0 mmp_? -55.7 -48.61 74.83 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.065 0.546 . . . . 0.0 110.691 177.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.01 -42.07 94.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.648 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.12 89.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.09 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.38 78.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.581 0.753 . . . . 0.0 111.759 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -33.36 52.97 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.18 0.514 . . . . 0.0 110.066 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.8 t80 . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.93 -174.69 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 tp . . . . . 0 C--O 1.237 0.429 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.02 -29.34 74.79 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.22 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -55.09 -43.73 74.22 Favored 'General case' 0 C--O 1.214 -0.805 0 C-N-CA 123.89 0.876 . . . . 0.0 110.869 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.83 -34.86 78.74 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 110.569 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.31 -50.15 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.3 -39.73 95.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.56 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.22 -53.48 57.2 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.64 0.587 . . . . 0.0 109.62 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.93 97.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.53 -26.93 67.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.142 0.577 . . . . 0.0 112.157 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.74 -24.82 56.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 120.667 0.27 . . . . 0.0 111.198 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.419 -2.022 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 177.175 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 12' ' ' ILE . 57.7 tp . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.74 -39.49 91.39 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.805 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -48.47 64.07 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.292 1.037 . . . . 0.0 110.86 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -77.45 -34.69 54.42 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.323 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' LEU . 49.0 mm -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -53.88 -45.5 71.05 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.385 0.674 . . . . 0.0 110.796 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.48 -44.9 77.4 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.557 0.536 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.04 94.88 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.39 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -25.7 54.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.373 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.61 -23.8 36.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.094 0.473 . . . . 0.0 110.459 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.8 t80 . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.279 179.849 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 tp . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.667 -0.123 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.5 -52.38 33.36 Favored Glycine 0 N--CA 1.452 -0.288 0 O-C-N 123.815 0.697 . . . . 0.0 113.495 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.551 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.55 -34.28 69.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.28 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -65.93 -45.5 81.64 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 tt -70.23 -38.77 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.35 . . . . 0.0 111.389 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.01 -32.16 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.334 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.63 -38.45 73.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.42 98.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.16 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.31 94.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.584 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.48 68.75 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.12 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--N 1.32 -0.688 0 C-N-CA 123.402 0.681 . . . . 0.0 111.034 -179.399 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.588 ' O ' HG12 ' A' ' 12' ' ' ILE . 58.9 tp . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.42 -37.33 91.88 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.389 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.7 -39.83 92.85 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.54 -38.67 67.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.374 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 8' ' ' LEU . 47.8 mm -60.79 -49.1 85.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.477 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -69.03 -31.56 70.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.83 -46.28 88.68 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.72 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.73 70.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.428 0.632 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.44 -24.1 29.68 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.958 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 C--N 1.322 -0.611 0 C-N-CA 123.702 0.801 . . . . 0.0 110.877 -177.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.236 0.352 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.05 -30.91 54.73 Favored Glycine 0 N--CA 1.439 -1.152 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.02 -34.6 71.46 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.803 -0.199 . . . . 0.0 110.708 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -59.71 -28.85 67.68 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 122.098 -0.376 . . . . 0.0 110.721 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -63.26 -48.38 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.213 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -67.82 -31.11 70.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.416 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.59 -37.62 82.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.637 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -43.65 67.69 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.56 -29.03 66.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.093 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.08 -24.18 30.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.975 -179.487 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 12' ' ' ILE . 55.9 tp . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.41 94.66 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.602 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -59.62 -46.79 87.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.642 0.377 . . . . 0.0 110.551 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -64.86 -36.39 84.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.2 mt -63.74 -46.84 93.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.296 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -69.71 -31.75 69.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.428 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.73 -50.83 67.59 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.94 83.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.349 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.83 96.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.36 -23.87 29.97 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.416 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.469 0.477 0 C-N-CA 124.362 1.065 . . . . 0.0 112.826 -176.865 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.45 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 35.5 Cg_exo . . . . . 0 N--CA 1.443 -1.487 0 N-CA-C 110.218 -0.724 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.7 tpt -61.18 -40.71 94.93 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 124.171 0.988 . . . . 0.0 111.494 -175.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -64.9 -32.37 74.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.294 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.9 -28.68 43.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 1' ' ' PRO . 81.8 mt -68.06 -27.62 66.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.529 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -64.31 -43.76 93.7 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -68.67 -35.28 77.03 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.222 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.13 -52.74 25.13 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.356 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.53 -35.93 90.2 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.162 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.9 -46.01 82.24 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 122.365 0.266 . . . . 0.0 111.037 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.04 -37.86 75.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.052 0.453 . . . . 0.0 111.171 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.81 -47.32 83.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -72.24 -28.88 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.257 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -68.34 -39.56 81.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 -28.99 64.39 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.977 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.95 -42.68 72.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.894 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.67 57.19 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.358 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -53.72 -54.22 41.08 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.502 0.721 . . . . 0.0 111.194 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.947 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 N--CA 1.452 -0.956 0 N-CA-C 110.721 -0.53 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.2 mmt -58.3 -31.61 67.66 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -61.08 -28.13 68.86 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.7 mt -74.82 -33.48 62.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.961 0.41 . . . . 0.0 110.215 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.02 -29.93 67.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.568 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -73.92 -29.03 61.82 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.949 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 64.7 mtm180 -64.11 -44.99 90.59 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.95 -33.6 76.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.775 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.62 -40.98 97.97 Favored Glycine 0 CA--C 1.5 -0.905 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.426 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -67.07 -41.1 87.0 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 7' ' ' ARG . 74.4 mmtt -62.87 -48.64 78.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.17 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 tt -60.86 -37.37 76.48 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.564 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.703 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -60.78 -54.88 39.78 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.26 -34.69 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -36.38 60.26 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -33.1 74.94 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.523 0.678 . . . . 0.0 110.163 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.22 -23.56 47.39 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.149 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -73.79 -49.2 26.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.421 -1.919 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.664 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo . . . . . 0 N--CA 1.442 -1.533 0 N-CA-C 109.166 -1.129 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.2 ttt -74.27 -18.8 60.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.877 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -46.46 -48.68 18.96 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.304 0.642 . . . . 0.0 112.301 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 3.9 pp -69.9 -30.38 67.79 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.9 mt -70.49 -40.75 73.4 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.06 -37.54 84.2 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.663 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -62.94 -38.77 92.37 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.367 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 96.4 mt -61.86 -52.38 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.08 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.94 -37.06 93.75 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.689 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.33 -39.99 94.9 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.197 0.599 . . . . 0.0 109.997 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -66.84 -40.24 87.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 8' ' ' LEU . 45.5 mm -65.37 -35.54 75.56 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 CA-C-O 121.75 0.786 . . . . 0.0 109.372 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.31 -31.59 62.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.043 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.79 -33.65 72.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.47 -49.38 66.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.89 -30.73 71.37 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.857 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 -26.22 66.15 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.001 0.429 . . . . 0.0 111.088 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -82.28 -17.49 45.72 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.636 0.732 . . . . 0.0 109.766 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.444 176.271 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo . . . . . 0 N--CA 1.44 -1.632 0 N-CA-C 109.936 -0.832 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 15.5 tpt -65.59 -33.06 75.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.946 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -58.03 -49.0 78.38 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.51 0.671 . . . . 0.0 109.977 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.3 mt -73.01 -28.86 62.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.863 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.03 -40.72 87.27 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -73.4 -34.66 65.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -66.74 -41.67 87.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.132 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.3 tp -66.63 -42.6 86.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -63.99 -33.98 88.69 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.047 -0.979 . . . . 0.0 112.113 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.84 -44.37 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.093 0.557 . . . . 0.0 109.824 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.02 -37.0 85.83 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.37 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 8' ' ' LEU . 69.4 mt -66.74 -40.68 86.61 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 9' ' ' GLY . 4.0 mmp_? -55.7 -48.61 74.83 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.065 0.546 . . . . 0.0 110.691 177.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.01 -42.07 94.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.648 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.12 89.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.09 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . . . -60.51 -36.38 78.24 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 123.581 0.753 . . . . 0.0 111.759 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.73 -33.36 52.97 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.18 0.514 . . . . 0.0 110.066 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -71.79 -40.94 68.86 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.93 -174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 12.1 ptmm? . . . . . 0 C--O 1.251 1.182 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo . . . . . 0 N--CA 1.439 -1.696 0 N-CA-C 109.91 -0.842 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.4 mtt -77.48 -22.32 51.5 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -53.29 -61.31 2.38 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.54 -24.4 56.74 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.1 tp -67.17 -47.25 71.54 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.567 0.698 . . . . 0.0 109.742 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -73.29 -30.04 63.13 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.048 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -74.13 -29.05 61.63 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.224 0.535 . . . . 0.0 109.568 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 tp -70.18 -48.34 57.68 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 174.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.02 -29.34 74.79 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.22 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -55.09 -43.73 74.22 Favored 'General case' 0 C--O 1.214 -0.805 0 C-N-CA 123.89 0.876 . . . . 0.0 110.869 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.83 -34.86 78.74 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 110.569 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -67.31 -50.15 65.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -63.3 -39.73 95.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.56 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.22 -53.48 57.2 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.64 0.587 . . . . 0.0 109.62 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -62.33 -43.93 97.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.53 -26.93 67.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.142 0.577 . . . . 0.0 112.157 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.74 -24.82 56.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 120.667 0.27 . . . . 0.0 111.198 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -82.75 -19.05 38.63 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 25.8 mmmt . . . . . 0 C--O 1.262 1.745 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.408 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 2.0 Cg_endo . . . . . 0 N--CA 1.437 -1.821 0 N-CA-C 108.352 -1.442 . . . . 0.0 108.352 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -68.48 -35.64 77.84 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -171.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -69.63 -35.47 75.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.207 0.527 . . . . 0.0 110.797 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.3 mt -75.72 -29.15 58.84 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.076 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 1' ' ' PRO . 87.3 mt -73.24 -26.59 61.18 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.817 174.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -70.18 -27.77 64.78 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.761 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -75.38 -37.61 60.47 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 12' ' ' ILE . 57.7 tp -63.13 -52.95 60.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.197 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.74 -39.49 91.39 Favored Glycine 0 C--O 1.206 -1.607 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.805 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -48.47 64.07 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.292 1.037 . . . . 0.0 110.86 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -77.45 -34.69 54.42 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.323 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' LEU . 49.0 mm -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -53.88 -45.5 71.05 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 123.385 0.674 . . . . 0.0 110.796 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.48 -44.9 77.4 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.557 0.536 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.04 94.88 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.39 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -25.7 54.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.373 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.61 -23.8 36.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.094 0.473 . . . . 0.0 110.459 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -68.34 -37.38 80.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.279 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt . . . . . 0 C--N 1.312 -1.024 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.276 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.449 -1.141 0 N-CA-C 109.742 -0.907 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -53.81 -35.91 61.92 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 124.419 1.088 . . . . 0.0 112.255 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -57.26 -29.88 64.2 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.04 -37.43 26.47 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.323 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -67.38 -36.35 81.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.496 0.665 . . . . 0.0 109.243 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -65.11 -41.47 94.9 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.592 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -60.86 -42.17 97.35 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.875 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 tp -71.51 -31.48 67.13 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.667 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.5 -52.38 33.36 Favored Glycine 0 N--CA 1.452 -0.288 0 O-C-N 123.815 0.697 . . . . 0.0 113.495 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.551 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.55 -34.28 69.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.28 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -65.93 -45.5 81.64 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 tt -70.23 -38.77 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.35 . . . . 0.0 111.389 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.01 -32.16 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.334 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.63 -38.45 73.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.42 98.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.16 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.31 94.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.584 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.48 68.75 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.12 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -67.76 -28.0 67.25 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.402 0.681 . . . . 0.0 111.034 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.073 177.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.444 -1.439 0 N-CA-C 109.236 -1.101 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -69.17 -49.58 55.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 97.9 mttt -78.45 -62.61 1.63 Allowed 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -171.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.582 HD23 ' H ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -60.27 -31.86 70.63 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -174.091 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.3 tp -68.42 -38.38 81.18 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.619 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -78.15 -31.66 49.87 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.395 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 76.8 mtp180 -68.73 -42.62 77.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.588 ' O ' HG12 ' A' ' 12' ' ' ILE . 58.9 tp -59.45 -45.82 90.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.525 -0.761 . . . . 0.0 108.965 175.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.42 -37.33 91.88 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.389 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.7 -39.83 92.85 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.54 -38.67 67.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.374 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 8' ' ' LEU . 47.8 mm -60.79 -49.1 85.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.477 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -69.03 -31.56 70.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.83 -46.28 88.68 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.72 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.73 70.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.428 0.632 . . . . 0.0 111.194 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.44 -24.1 29.68 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.958 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -65.41 -38.13 89.02 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.702 0.801 . . . . 0.0 110.877 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? . . . . . 0 C--O 1.255 1.344 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.163 178.706 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.442 -1.532 0 N-CA-C 109.336 -1.063 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.406 ' HA ' HD23 ' A' ' 5' ' ' LEU . 82.6 mmm -71.32 -22.55 61.92 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.85 -175.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -56.98 -31.42 65.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.563 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.5 mt -69.8 -34.79 74.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.086 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 2' ' ' MET . 3.1 mm? -76.1 -30.66 58.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.805 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -60.18 -36.33 77.36 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.96 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -64.08 -30.21 71.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.051 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.49 -33.87 74.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.05 -30.91 54.73 Favored Glycine 0 N--CA 1.439 -1.152 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.02 -34.6 71.46 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.803 -0.199 . . . . 0.0 110.708 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -59.71 -28.85 67.68 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 122.098 -0.376 . . . . 0.0 110.721 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -63.26 -48.38 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.213 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -67.82 -31.11 70.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.416 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.59 -37.62 82.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.637 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -43.65 67.69 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.56 -29.03 66.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.093 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.08 -24.18 30.48 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.845 0.355 . . . . 0.0 110.752 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -68.6 -41.5 79.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.975 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 19' ' ' LYS . 12.6 ptmm? . . . . . 0 N--CA 1.426 -1.656 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.096 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 N--CA 1.451 -0.982 0 CA-C-O 119.869 -0.138 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.495 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 27.5 ptm -67.93 -31.42 71.16 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 121.897 -0.502 . . . . 0.0 111.231 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.41 -32.53 74.19 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.414 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.52 -35.91 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.56 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.24 -45.49 80.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.839 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 2' ' ' MET . 26.8 mtpp -68.65 -31.83 71.25 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.654 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.12 -40.18 86.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 12' ' ' ILE . 55.9 tp -62.6 -43.62 98.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.221 175.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.41 94.66 Favored Glycine 0 C--O 1.227 -0.314 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.602 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -59.62 -46.79 87.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.642 0.377 . . . . 0.0 110.551 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -64.86 -36.39 84.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 8' ' ' LEU . 84.2 mt -63.74 -46.84 93.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.296 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -69.71 -31.75 69.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.428 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.73 -50.83 67.59 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.94 83.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.349 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.83 96.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.36 -23.87 29.97 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.416 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -51.64 -56.04 15.88 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.362 1.065 . . . . 0.0 112.826 -176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -1.004 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.56 -178.322 . . . . . . . . 2 2 . 1 stop_ save_