data_2mj2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mj2 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.731 0.3 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 14' ' ' ILE . 82.0 mm-40 -63.06 -32.36 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -69.7 -42.38 74.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.63 -33.75 65.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.998 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.48 -41.43 94.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.027 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 10' ' ' GLN . 67.6 mt -56.71 -45.05 82.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.068 0.461 . . . . 0.0 110.129 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -64.37 -46.39 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.805 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -67.01 -36.63 82.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.957 -178.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 61.3 tp -63.76 -51.79 63.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -55.26 -42.15 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.095 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.87 -49.97 75.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 16' ' ' LEU . 4.7 mp -56.4 -47.99 77.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 49.3 mt -65.47 -39.96 92.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.34 -41.71 84.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.822 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.198 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.655 -179.569 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.921 0.391 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -69.59 -25.97 64.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.013 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -68.92 -46.95 66.95 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.3 mt -66.4 -34.32 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.694 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.38 -37.26 67.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.522 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.68 -46.91 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.52 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -69.36 -37.75 77.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.2 mt -63.32 -46.35 87.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.061 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 tp -53.89 -54.33 40.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.955 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -55.91 -39.24 71.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.152 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -67.49 -47.7 69.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -59.29 -51.45 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.063 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.492 HD13 ' N ' ' A' ' 22' ' ' ASP . 4.1 pp -66.62 -33.64 76.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 111.175 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.492 ' N ' HD13 ' A' ' 21' ' ' LEU . 13.6 t70 -71.15 -32.13 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.374 0.607 . . . . 0.0 110.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -81.17 -43.76 18.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.539 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.615 -177.018 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -75.34 -27.15 59.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.258 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -65.31 -27.14 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.622 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 46.9 mm -63.25 -30.7 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.466 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.5 -35.56 72.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.513 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.34 -44.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.96 -42.53 89.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.7 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 73.1 mt -58.53 -48.81 79.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 59.3 tp -54.48 -56.17 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.042 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.27 -35.44 73.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.437 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -69.16 -46.22 68.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.366 . . . . 0.0 110.42 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 16' ' ' LEU . 5.0 mp -60.05 -41.06 91.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 59.4 mt -69.37 -41.13 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.459 . . . . 0.0 110.215 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.28 -45.66 93.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.058 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.27 -41.42 99.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.556 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.333 -179.051 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 121.158 0.504 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -70.78 -21.71 62.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.618 -177.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -72.92 -24.14 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.784 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -79.0 -34.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.2 mt -58.37 -24.7 60.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.978 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 69.2 mt -64.13 -46.88 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -63.6 -40.57 97.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.181 0.515 . . . . 0.0 110.165 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.0 mt -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.014 177.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.57 -49.57 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.788 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 29.2 mt-10 -61.28 -26.42 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.904 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -76.29 -47.83 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.034 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.9 mt -61.39 -38.35 86.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.2 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.1 -9.52 58.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 111.439 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -105.23 -40.53 5.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.831 173.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -65.22 -17.1 64.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.015 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.361 178.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' OE1' ' HA ' ' A' ' 10' ' ' GLN . 11.9 mm-40 -73.43 -17.09 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.405 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -74.31 -30.59 62.12 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.8 mt -68.58 -36.28 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.74 -36.27 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.605 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.38 -41.82 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.298 0.571 . . . . 0.0 109.961 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.428 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 15.9 m-85 -69.45 -37.83 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.378 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.0 mt -60.96 -44.97 96.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.607 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.54 -50.96 71.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.739 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 15' ' ' PHE . 10.8 pt-20 -62.08 -27.88 69.22 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.271 0.558 . . . . 0.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -74.9 -47.96 27.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.322 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 97.0 mt -57.58 -44.27 85.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.253 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 22' ' ' ASP . 3.7 pp -64.83 -37.8 88.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.761 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.616 ' N ' HD13 ' A' ' 21' ' ' LEU . 21.8 t70 -71.93 -40.33 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -65.36 -38.46 90.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.189 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.124 177.877 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.629 0.252 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -65.05 -29.37 70.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.339 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -95.04 -43.75 7.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.664 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.4 -26.41 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -54.38 -39.62 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.775 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.15 -43.21 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.67 -39.18 88.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' C ' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -70.7 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.24 -52.17 66.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.313 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.49 -43.45 89.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.863 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -58.29 -48.83 79.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.212 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 16' ' ' LEU . 6.0 mp -59.83 -47.3 86.29 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.34 -27.7 59.32 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.343 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.62 -38.77 64.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.059 0.456 . . . . 0.0 110.292 176.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -68.61 -35.69 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.109 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.77 -176.487 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.09 -33.14 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.891 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -72.74 -28.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.168 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.88 -37.16 77.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 109.816 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 11.0 mp -58.65 -32.05 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.164 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.77 -49.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -66.48 -39.15 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.305 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.543 ' CD2' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -68.51 -34.37 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.3 tt -68.54 -44.54 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -58.8 -39.84 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.725 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.57 -50.44 73.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.447 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -56.42 -35.51 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.687 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 57.9 mt -72.32 -54.04 10.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.767 0.318 . . . . 0.0 110.522 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.62 -42.65 99.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.516 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -61.56 -29.6 70.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.562 . . . . 0.0 110.512 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.436 -176.676 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.292 0.568 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -77.43 -14.65 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.428 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -76.35 -27.98 56.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.44 -29.76 46.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.791 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -56.01 -37.16 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.01 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.82 -47.83 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.05 -43.65 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' C ' HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.079 -178.023 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.631 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.7 tp -61.26 -53.8 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -62.47 -30.52 71.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.968 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.44 -49.55 71.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.7 mp -59.72 -38.37 81.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.508 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 62.1 mt -64.49 -46.7 81.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.472 . . . . 0.0 110.432 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.08 -30.46 66.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.02 -28.25 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.063 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.173 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.121 0.486 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.444 ' OE1' ' HA ' ' A' ' 10' ' ' GLN . 6.6 mm-40 -72.58 -24.57 61.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.119 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -77.12 -20.38 55.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.971 0.415 . . . . 0.0 110.048 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.9 mm -68.69 -30.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.35 -29.23 67.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.91 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.508 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 43.4 mm -60.86 -48.49 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.111 0.481 . . . . 0.0 110.386 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -64.3 -43.84 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.066 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.4 mt -61.15 -44.42 97.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.133 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.8 -41.93 96.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.415 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 50.1 mt-10 -62.71 -23.55 67.21 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.12 0.486 . . . . 0.0 110.87 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -83.99 -46.91 11.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.023 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.8 mt -59.35 -39.48 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.877 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 22' ' ' ASP . 4.6 pp -66.32 -31.19 71.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.705 0.288 . . . . 0.0 110.569 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' N ' HD13 ' A' ' 21' ' ' LEU . 25.5 t70 -80.84 -35.14 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.068 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.02 -47.33 80.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.58 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.578 178.613 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' HG12 ' A' ' 14' ' ' ILE . 4.6 pp0? -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.393 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -71.36 -33.49 69.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 60.9 mt -69.56 -34.68 62.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.534 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 73.8 mt -62.03 -35.79 79.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.229 175.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 45.1 mm -66.53 -39.21 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.59 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CD2' ' HA ' ' A' ' 12' ' ' ILE . 16.0 m-30 -63.65 -43.76 95.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.35 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.93 -31.79 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.288 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.52 -47.59 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.511 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 44.4 mt-10 -63.03 -36.8 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.57 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -58.85 -42.6 89.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.958 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 84.8 mt -66.44 -23.72 66.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.6 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.47 -43.42 63.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 109.548 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.82 -40.45 79.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.324 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.62 -27.04 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.571 177.793 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.16 0 CA-C-O 120.391 0.139 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -24.46 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.369 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -86.94 -42.84 12.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.792 0.33 . . . . 0.0 110.487 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -65.73 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.937 0.398 . . . . 0.0 110.083 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 58.4 tp -54.85 -38.14 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.925 176.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.495 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 66.2 mt -59.78 -49.73 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.268 0.556 . . . . 0.0 110.3 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -70.93 -38.48 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.442 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.51 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -67.14 -31.61 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.461 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.26 -44.01 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 45.5 mt-10 -62.79 -31.18 72.1 Favored 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.695 177.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.26 -46.32 83.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.275 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.11 -32.66 74.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.075 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -75.88 -38.46 57.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.183 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -67.34 -46.57 73.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.013 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.6 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.877 176.396 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -65.94 -31.77 72.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.463 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 ptm85 -72.33 -34.02 67.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.434 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -79.68 -29.83 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.054 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -52.18 -41.37 62.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.726 175.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 66.0 mt -56.29 -47.65 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.839 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -74.5 -36.98 63.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.473 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -68.89 -29.83 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 54.1 tp -65.28 -46.72 79.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 110.055 173.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 13.4 mm-40 -53.42 -36.14 61.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.418 174.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 79.7 t80 -60.97 -50.08 74.85 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.481 176.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.99 -42.67 85.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.928 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 52.8 mt -63.86 -44.78 92.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.24 -37.05 77.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -69.25 -36.9 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.466 . . . . 0.0 110.304 177.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.613 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.939 0.399 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 14' ' ' ILE . 14.2 mm100 -73.12 -31.95 64.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.683 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -72.78 -30.4 64.08 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.685 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.67 -38.7 82.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.08 -40.36 89.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 10' ' ' GLN . 66.8 mt -59.86 -49.4 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.949 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -61.13 -46.13 91.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.902 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' C ' HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -65.67 -32.63 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.308 -177.552 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.0 tp -71.2 -53.87 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.537 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.66 -40.39 59.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -55.69 -47.43 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.06 -37.79 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.518 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 65.4 mt -62.18 -43.31 99.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.306 0.574 . . . . 0.0 109.993 178.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.6 -36.47 78.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.638 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -68.06 -38.07 82.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.144 0.497 . . . . 0.0 111.319 -176.475 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -72.55 -27.09 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.333 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -75.51 -20.34 58.8 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.204 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.99 -32.62 52.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 7.3 tt -58.13 -36.22 72.63 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.63 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -56.36 -48.77 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -68.73 -38.3 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.333 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -70.47 -33.93 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.068 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.7 -53.42 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.325 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.01 -32.6 66.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.711 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -67.97 -53.33 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.41 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 HD11 ' O ' ' A' ' 16' ' ' LEU . 6.3 mp -57.38 -50.18 73.8 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.37 -16.18 63.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -98.89 -45.14 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.018 0.437 . . . . 0.0 110.768 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -66.85 -35.91 81.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.514 -175.071 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -63.17 -30.63 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -72.13 -26.37 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.133 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.657 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 71.0 mt -67.28 -41.18 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.579 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.96 -31.99 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.842 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 61.7 mt -61.18 -49.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -60.68 -44.88 95.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.5 mt -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.498 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 53.1 tp -55.37 -53.52 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.193 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 10.1 mm-40 -55.67 -42.46 75.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.44 -45.08 77.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 110.566 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 ' O ' ' A' ' 16' ' ' LEU . 4.9 mp -59.22 -41.16 87.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.438 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 63.6 mt -62.83 -41.11 99.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.25 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.22 -46.62 76.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.207 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -74.05 -29.28 61.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.377 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.233 0.226 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.042 -175.737 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.244 0.545 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.631 ' O ' HG12 ' A' ' 14' ' ' ILE . 15.7 mm100 -63.47 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -64.96 -35.16 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.616 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.6 mm -69.13 -42.64 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.3 tp -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.955 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 10' ' ' GLN . 42.7 mm -58.32 -44.61 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.984 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -69.49 -36.86 76.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.213 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.5 mt -67.34 -50.89 58.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.971 176.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 tt -58.53 -47.67 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.688 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.31 -33.04 72.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.045 0.45 . . . . 0.0 110.683 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -75.14 -45.82 38.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.593 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 95.5 mt -60.63 -41.93 95.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.616 -177.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.93 -31.56 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.981 0.419 . . . . 0.0 110.507 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -74.13 -36.28 64.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.769 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.31 -37.48 85.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.915 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.969 178.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -61.78 -37.95 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.526 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -32.25 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.143 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.16 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 0.0 110.063 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 80.7 mt -59.19 -36.27 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.37 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 37.1 mm -57.11 -49.73 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.667 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -70.84 -41.06 71.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.543 -177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -66.65 -29.5 69.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.9 tt -70.97 -41.64 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 59.0 mm-40 -54.53 -41.13 69.33 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.285 0.564 . . . . 0.0 109.877 174.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -62.36 -46.1 90.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.521 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 96.2 mt -60.81 -32.08 71.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.69 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 67.9 mt -65.19 -50.9 64.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 0.0 110.096 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.97 -38.96 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.946 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -53.85 -23.62 13.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.669 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.042 -178.204 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.177 0.513 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -87.49 126.15 34.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.397 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -131.12 127.1 37.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.849 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.69 13.89 56.39 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.349 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 p -73.36 -58.38 3.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.847 0.355 . . . . 0.0 111.032 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.56 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 35.1 mmtp -106.36 33.61 3.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.598 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -64.82 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.551 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -74.18 -35.89 64.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.031 0.443 . . . . 0.0 109.949 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.98 -32.11 73.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.799 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 82.0 mm-40 -63.06 -32.36 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -69.7 -42.38 74.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.63 -33.75 65.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.998 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.48 -41.43 94.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.027 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 10' ' ' GLN . 67.6 mt -56.71 -45.05 82.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.068 0.461 . . . . 0.0 110.129 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -64.37 -46.39 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.805 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -67.01 -36.63 82.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.957 -178.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 61.3 tp -63.76 -51.79 63.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -55.26 -42.15 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.095 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.87 -49.97 75.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 16' ' ' LEU . 4.7 mp -56.4 -47.99 77.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 49.3 mt -65.47 -39.96 92.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.34 -41.71 84.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.822 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.198 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.4 m -101.84 38.99 1.52 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.655 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -73.59 -20.31 60.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.102 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.84 151.55 39.37 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.265 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.7 -22.41 56.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.511 . . . . 0.0 110.608 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -81.04 -16.54 53.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.461 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 t 65.4 -164.57 0.24 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.174 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 12.1 p -140.42 49.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.546 1.165 . . . . 0.0 109.265 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -100.19 3.61 43.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.27 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.83 68.82 3.46 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 65.54 78.43 0.27 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.269 0.628 . . . . 0.0 109.831 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 18.1 ptpt -80.29 10.01 5.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.309 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 64.35 32.3 12.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.05 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.502 177.801 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 121.167 0.508 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.5 m-90 -97.94 151.45 20.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.308 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -78.82 67.36 4.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.63 39.21 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.918 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 p -95.92 -56.1 2.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.197 0.522 . . . . 0.0 110.738 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -71.96 -29.97 64.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.272 0.558 . . . . 0.0 109.904 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 10' ' ' GLN . 43.3 mmtm -77.26 -5.91 51.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.275 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -65.92 -52.42 50.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.23 -32.0 73.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.6 176.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 28.5 mm-40 -69.59 -25.97 64.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.013 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -68.92 -46.95 66.95 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.3 mt -66.4 -34.32 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.694 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.38 -37.26 67.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.522 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.68 -46.91 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.52 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -69.36 -37.75 77.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.2 mt -63.32 -46.35 87.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.061 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 tp -53.89 -54.33 40.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.955 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -55.91 -39.24 71.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.152 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -67.49 -47.7 69.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -59.29 -51.45 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.063 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.492 HD13 ' N ' ' A' ' 22' ' ' ASP . 4.1 pp -66.62 -33.64 76.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 111.175 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.492 ' N ' HD13 ' A' ' 21' ' ' LEU . 13.6 t70 -71.15 -32.13 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.374 0.607 . . . . 0.0 110.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -81.17 -43.76 18.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.539 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.24 -38.47 90.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.615 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 p -64.96 -35.35 80.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.899 0.381 . . . . 0.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.17 22.67 37.22 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.679 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.93 -61.74 1.73 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.021 0.439 . . . . 0.0 110.303 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -140.89 -6.68 1.1 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.801 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 p -108.27 178.11 4.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.375 -174.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.2 p 41.07 79.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 124.393 1.058 . . . . 0.0 112.414 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 1.5 m-20 -54.92 125.57 20.82 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.552 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.05 -47.18 1.77 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.778 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -85.81 -39.84 16.65 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -90.74 38.28 0.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.344 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 34.8 ttm180 -96.25 106.2 18.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.163 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.392 -0.813 . . . . 0.0 109.772 179.677 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.596 0.236 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.1 m95 53.69 59.02 4.59 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.596 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -142.22 109.29 5.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.373 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.32 114.47 2.08 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.76 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -65.06 -47.23 78.06 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.301 0.572 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HZ1' ' HB2' ' A' ' 6' ' ' LYS . 10.1 mtmp? -69.23 -13.69 62.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.432 -0.803 . . . . 0.0 112.204 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.47 ' HD3' ' OE1' ' A' ' 10' ' ' GLN . 42.4 mmtm -55.37 -38.92 69.47 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.27 0.557 . . . . 0.0 110.515 175.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.633 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.9 tmm_? -70.14 -41.15 74.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.993 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 -40.48 66.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.698 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' OE1' ' HD3' ' A' ' 7' ' ' LYS . 4.5 pt20 -75.34 -27.15 59.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.258 -176.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 3.8 ptp180 -65.31 -27.14 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.622 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 46.9 mm -63.25 -30.7 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.466 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.5 -35.56 72.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.513 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.34 -44.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.96 -42.53 89.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.7 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 73.1 mt -58.53 -48.81 79.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 59.3 tp -54.48 -56.17 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.042 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.27 -35.44 73.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.437 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -69.16 -46.22 68.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.366 . . . . 0.0 110.42 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 16' ' ' LEU . 5.0 mp -60.05 -41.06 91.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 59.4 mt -69.37 -41.13 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.459 . . . . 0.0 110.215 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.28 -45.66 93.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.058 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 90.0 t80 -63.27 -41.42 99.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.556 176.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.94 -41.58 64.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.333 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -95.02 -34.51 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.891 0.377 . . . . 0.0 111.476 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.34 74.07 0.31 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.988 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 23' ' ' PHE . 39.8 mt-10 -76.68 -21.72 55.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.002 0.429 . . . . 0.0 110.082 174.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -132.4 -66.16 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.946 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 m -84.91 155.51 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -174.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t 58.32 71.71 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.515 0.674 . . . . 0.0 110.352 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -137.23 78.96 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.43 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.77 -57.0 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.538 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 59.44 59.99 2.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 122.969 0.507 . . . . 0.0 110.654 178.29 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -74.26 107.48 6.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.281 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -139.79 116.12 10.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.076 177.207 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -72.57 118.05 15.01 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 p -89.07 126.69 35.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.333 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.96 76.17 0.22 Allowed Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 p -58.29 -53.15 61.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -113.91 -2.91 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.28 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -63.57 -33.29 75.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 5.8 mpt_? -79.92 -21.99 43.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.592 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.85 -44.8 15.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.158 0.504 . . . . 0.0 110.337 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -70.78 -21.71 62.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.618 -177.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 39.1 ptt180 -72.92 -24.14 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.784 175.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -79.0 -34.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.2 mt -58.37 -24.7 60.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.978 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 69.2 mt -64.13 -46.88 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -63.6 -40.57 97.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.181 0.515 . . . . 0.0 110.165 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.0 mt -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.014 177.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.57 -49.57 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.788 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 29.2 mt-10 -61.28 -26.42 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.904 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -76.29 -47.83 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.034 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.9 mt -61.39 -38.35 86.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.2 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.1 -9.52 58.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 111.439 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -105.23 -40.53 5.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.831 173.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -65.22 -17.1 64.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.015 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p -63.3 -13.7 41.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.361 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 p -67.17 -17.08 64.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.228 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.2 -122.79 22.11 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.803 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -81.7 -58.32 3.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 172.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -168.18 52.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.186 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 p -121.46 163.34 18.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.267 -175.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 t -130.39 48.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 109.248 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -89.58 125.59 35.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.55 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.35 -72.76 2.49 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.667 -0.697 . . . . 0.0 113.215 172.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp 58.34 45.71 16.55 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.229 0.537 . . . . 0.0 109.73 -171.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -70.95 -34.45 71.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.679 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -118.96 90.19 3.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.273 0.558 . . . . 0.0 110.25 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.686 -179.768 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.603 0.239 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -100.78 151.18 22.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.271 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -94.71 127.77 40.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.61 19.58 15.39 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.971 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -68.7 -69.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.932 0.396 . . . . 0.0 111.161 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -87.74 -7.31 57.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.206 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.2 -31.6 72.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.989 0.424 . . . . 0.0 110.345 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 33.0 mmt180 -69.46 -22.79 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.493 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.56 -42.57 14.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.477 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' OE1' ' HA ' ' A' ' 10' ' ' GLN . 11.9 mm-40 -73.43 -17.09 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.405 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 33.4 ptt180 -74.31 -30.59 62.12 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.8 mt -68.58 -36.28 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.74 -36.27 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.605 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.38 -41.82 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.298 0.571 . . . . 0.0 109.961 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.428 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 15.9 m-85 -69.45 -37.83 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.378 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.0 mt -60.96 -44.97 96.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.607 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.54 -50.96 71.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.739 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 15' ' ' PHE . 10.8 pt-20 -62.08 -27.88 69.22 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.271 0.558 . . . . 0.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -74.9 -47.96 27.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.322 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 97.0 mt -57.58 -44.27 85.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.253 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 22' ' ' ASP . 3.7 pp -64.83 -37.8 88.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.761 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.616 ' N ' HD13 ' A' ' 21' ' ' LEU . 21.8 t70 -71.93 -40.33 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -65.36 -38.46 90.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.189 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.6 t -63.28 -62.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.124 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 24' ' ' CYS . 9.0 t 172.57 -37.39 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.948 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.57 165.37 30.96 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.492 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.0 mt-10 -56.03 -52.44 64.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.093 0.473 . . . . 0.0 110.921 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.25 -41.44 20.21 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t 63.79 -172.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.408 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p 32.36 74.22 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.265 1.026 . . . . 0.0 112.273 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.06 147.72 51.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.601 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.04 50.36 2.46 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.404 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -132.44 7.86 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.774 0.321 . . . . 0.0 111.081 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mtpt -85.25 -15.88 42.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.76 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -134.34 65.75 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.482 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.972 179.235 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.865 0.364 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -111.11 174.2 5.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.048 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p 49.39 84.1 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.445 0.698 . . . . 0.0 111.922 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.22 57.4 3.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.724 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -58.21 -50.27 74.14 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 122.879 0.472 . . . . 0.0 111.616 -175.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -88.83 13.65 12.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.947 0.403 . . . . 0.0 111.086 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -114.03 -54.03 2.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.626 177.239 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -71.23 -20.8 62.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.824 0.345 . . . . 0.0 111.079 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.3 -27.68 66.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.465 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -65.05 -29.37 70.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.339 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -95.04 -43.75 7.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.664 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.4 -26.41 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -54.38 -39.62 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.775 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.15 -43.21 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.67 -39.18 88.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.528 ' C ' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -70.7 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.24 -52.17 66.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.313 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.49 -43.45 89.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.863 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -58.29 -48.83 79.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.212 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 16' ' ' LEU . 6.0 mp -59.83 -47.3 86.29 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.34 -27.7 59.32 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.343 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.62 -38.77 64.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.059 0.456 . . . . 0.0 110.292 176.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -68.61 -35.69 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.109 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 t -71.04 -1.34 11.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.77 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.2 p -77.04 -26.86 54.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.188 0.518 . . . . 0.0 110.323 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.74 53.26 1.97 Allowed Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.971 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -76.41 -51.06 12.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.818 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.461 ' H ' ' CD ' ' A' ' 27' ' ' GLU . 22.2 t70 -146.98 41.73 1.1 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -93.08 152.92 18.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.514 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.4 t -131.21 73.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -77.84 -171.1 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.918 -175.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.23 6.75 27.4 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -173.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -116.17 34.63 4.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.565 0.697 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -85.19 -49.23 8.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.985 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 56.83 67.78 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.581 0.551 . . . . 0.0 110.333 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.031 -179.28 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.914 0.387 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -61.99 -42.63 99.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.408 0.623 . . . . 0.0 110.616 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -94.32 76.32 3.94 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.441 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.57 91.22 1.58 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.959 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 p -76.16 -60.35 2.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.041 0.448 . . . . 0.0 111.399 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -69.69 -34.63 74.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.401 -174.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' C ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -66.46 -30.48 70.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.584 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.1 tmt_? -72.76 -44.87 61.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.8 68.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.745 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.09 -33.14 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.891 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 3.4 ptm180 -72.74 -28.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.168 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 8' ' ' ARG . 42.3 mm -61.88 -37.16 77.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 109.816 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 11.0 mp -58.65 -32.05 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.164 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.77 -49.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -66.48 -39.15 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.305 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.543 ' CD2' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -68.51 -34.37 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.3 tt -68.54 -44.54 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -58.8 -39.84 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.725 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.57 -50.44 73.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.447 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -56.42 -35.51 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.687 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 57.9 mt -72.32 -54.04 10.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.767 0.318 . . . . 0.0 110.522 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.62 -42.65 99.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.516 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -61.56 -29.6 70.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.562 . . . . 0.0 110.512 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m -110.3 41.92 1.65 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.436 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 21' ' ' LEU . 14.1 p -94.18 -95.38 0.16 Allowed 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.336 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.27 -25.37 61.63 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.982 -174.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.21 -18.77 44.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.099 0.476 . . . . 0.0 110.864 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -92.77 -47.23 7.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.304 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 m -68.32 152.63 45.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.72 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.99 68.83 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 122.713 1.244 . . . . 0.0 109.838 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -80.26 162.59 24.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.426 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.05 60.17 4.47 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.303 -0.475 . . . . 0.0 112.893 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.579 ' HB3' ' HZ2' ' A' ' 33' ' ' LYS . 9.7 mtpm? -74.61 -31.43 62.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.004 0.43 . . . . 0.0 110.485 177.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -82.46 -0.74 47.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.223 0.535 . . . . 0.0 110.281 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -85.07 145.82 27.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.151 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.425 -179.244 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.647 0.261 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -62.61 119.1 8.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.527 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m 60.39 44.5 12.12 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.854 0.721 . . . . 0.0 110.405 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.85 -47.97 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -54.31 31.86 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.648 0.379 . . . . 0.0 111.76 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -103.56 27.86 7.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.998 0.427 . . . . 0.0 111.168 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -118.57 26.9 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 110.386 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.628 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 3.2 tmm_? -83.39 -54.78 4.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.784 -176.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.59 -24.28 53.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.292 0.568 . . . . 0.0 110.448 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -77.43 -14.65 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.428 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 9.3 ptm180 -76.35 -27.98 56.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.44 -29.76 46.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.791 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -56.01 -37.16 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.01 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.82 -47.83 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.05 -43.65 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' C ' HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.079 -178.023 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.631 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.7 tp -61.26 -53.8 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -62.47 -30.52 71.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.968 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.44 -49.55 71.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.7 mp -59.72 -38.37 81.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.508 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 62.1 mt -64.49 -46.7 81.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.472 . . . . 0.0 110.432 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.08 -30.46 66.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.02 -28.25 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.063 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.1 -26.05 31.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.173 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.7 p -82.73 -69.97 0.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.196 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.29 52.94 24.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.054 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -69.15 -19.14 64.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.271 -0.464 . . . . 0.0 111.425 -174.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -88.55 4.84 45.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.484 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.6 t 70.03 -165.44 0.16 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.438 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG11 ' O ' ' A' ' 30' ' ' VAL . 11.4 p 41.92 60.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 122.548 1.166 . . . . 0.0 111.212 -176.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.39 124.51 27.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.767 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.34 -46.39 2.0 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.299 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 59.43 58.75 2.86 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.332 0.587 . . . . 0.0 110.135 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -71.87 115.13 10.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.318 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -142.41 27.12 1.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.746 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.474 -179.719 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.85 0.357 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -169.71 -54.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 109.211 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -116.79 71.02 0.78 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.774 172.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.56 126.79 5.58 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 -171.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 p -55.2 -66.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.801 0.334 . . . . 0.0 111.358 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 51.6 mtmt -108.18 -14.36 14.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.913 0.387 . . . . 0.0 110.274 175.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.63 -31.97 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.965 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.583 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 3.5 tmt_? -65.0 -31.55 72.84 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.96 -33.42 57.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.121 0.486 . . . . 0.0 110.185 176.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 6.6 mm-40 -72.58 -24.57 61.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.119 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.5 ptm180 -77.12 -20.38 55.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.971 0.415 . . . . 0.0 110.048 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.9 mm -68.69 -30.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.35 -29.23 67.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.91 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.508 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 43.4 mm -60.86 -48.49 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.111 0.481 . . . . 0.0 110.386 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -64.3 -43.84 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.066 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.4 mt -61.15 -44.42 97.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.133 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.8 -41.93 96.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.415 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 50.1 mt-10 -62.71 -23.55 67.21 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.12 0.486 . . . . 0.0 110.87 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -83.99 -46.91 11.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.023 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.8 mt -59.35 -39.48 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.877 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 22' ' ' ASP . 4.6 pp -66.32 -31.19 71.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.705 0.288 . . . . 0.0 110.569 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.5 ' HA ' ' CA ' ' A' ' 26' ' ' GLY . 25.5 t70 -80.84 -35.14 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.068 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.02 -47.33 80.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.58 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.5 t -66.12 -60.08 3.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.578 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.5 p -116.39 -78.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.884 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.5 ' CA ' ' HA ' ' A' ' 22' ' ' ASP . . . 168.71 150.32 6.61 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.18 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -90.92 -26.16 19.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.127 0.489 . . . . 0.0 109.893 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.5 -25.27 25.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.517 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 p -158.44 150.47 21.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.375 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.1 t -129.52 75.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.375 0.607 . . . . 0.0 109.514 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -126.27 -174.9 3.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.518 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.445 ' HA2' ' HG3' ' A' ' 36' ' ' GLN . . . -111.59 24.62 14.96 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.903 -178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -64.15 -39.82 94.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.091 0.472 . . . . 0.0 109.765 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -80.08 -62.09 1.79 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.58 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 178.42 131.95 0.07 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.71 0.291 . . . . 0.0 110.962 178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 35.1 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.582 170.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 121.099 0.476 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -133.0 106.74 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.249 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 m -80.49 68.01 6.53 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.682 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' HA2' ' CG ' ' A' ' 7' ' ' LYS . . . -84.3 52.37 4.7 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.277 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -79.64 -51.1 9.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -112.67 8.16 18.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' CG ' ' HA2' ' A' ' 4' ' ' GLY . 31.6 mmmt -66.1 -26.49 67.49 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.669 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -104.78 -21.31 13.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.857 0.36 . . . . 0.0 110.036 174.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.07 -31.69 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.771 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' O ' HG12 ' A' ' 14' ' ' ILE . 4.6 pp0? -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.393 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 18.1 ptt180 -71.36 -33.49 69.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 60.9 mt -69.56 -34.68 62.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.534 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 73.8 mt -62.03 -35.79 79.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.229 175.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.523 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 45.1 mm -66.53 -39.21 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.59 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CD2' ' HA ' ' A' ' 12' ' ' ILE . 16.0 m-30 -63.65 -43.76 95.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.35 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.93 -31.79 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.288 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.52 -47.59 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.511 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 44.4 mt-10 -63.03 -36.8 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.57 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -58.85 -42.6 89.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.958 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 84.8 mt -66.44 -23.72 66.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.6 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.47 -43.42 63.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 109.548 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.82 -40.45 79.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.324 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.62 -27.04 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t -61.34 -31.92 71.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.571 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.66 -89.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.15 30.26 76.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.71 174.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.88 -12.33 27.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.692 0.758 . . . . 0.0 109.167 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.58 ' O ' ' HB2' ' A' ' 29' ' ' SER . 20.7 t70 -137.16 -60.61 0.67 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.196 175.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.58 ' HB2' ' O ' ' A' ' 28' ' ' ASP . 7.0 t 162.88 -170.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 O-C-N 124.345 1.028 . . . . 0.0 108.592 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.89 69.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 t70 60.29 75.77 0.39 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.096 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.71 -65.25 4.11 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -176.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -154.68 -54.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -139.44 126.06 20.58 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -85.53 63.01 7.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.324 0.583 . . . . 0.0 109.774 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.891 -177.637 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.62 0.248 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -89.78 155.99 18.81 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -57.89 101.69 0.08 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.576 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.36 -62.2 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.133 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p -76.73 -57.45 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.037 0.446 . . . . 0.0 110.572 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.532 ' HZ3' ' HB2' ' A' ' 6' ' ' LYS . 10.1 mtmp? -97.24 38.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.254 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -62.99 -20.93 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.436 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -69.95 -55.17 10.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.63 94.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.154 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -24.46 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.369 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -86.94 -42.84 12.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.792 0.33 . . . . 0.0 110.487 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -65.73 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.937 0.398 . . . . 0.0 110.083 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 58.4 tp -54.85 -38.14 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.925 176.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.495 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 66.2 mt -59.78 -49.73 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.268 0.556 . . . . 0.0 110.3 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -70.93 -38.48 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.442 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.51 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -67.14 -31.61 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.461 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.26 -44.01 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 45.5 mt-10 -62.79 -31.18 72.1 Favored 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.695 177.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.26 -46.32 83.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.275 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.11 -32.66 74.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.075 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -75.88 -38.46 57.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' O ' ' HB ' ' A' ' 25' ' ' THR . 22.8 t70 -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.183 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -67.34 -46.57 73.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.013 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.1 46.28 1.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.877 176.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.482 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -68.72 -20.19 64.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.263 -175.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.33 120.96 4.05 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.387 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.18 -22.48 60.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.283 0.563 . . . . 0.0 109.854 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.98 -14.04 60.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.461 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -94.49 -173.29 3.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.887 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.38 84.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.854 0.835 . . . . 0.0 110.406 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.02 111.75 1.61 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.931 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.47 100.14 0.14 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.576 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 59.81 65.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.3 0.572 . . . . 0.0 111.329 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -81.42 -40.56 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.598 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -95.8 97.84 9.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.972 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.23 -178.218 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 43.1 t-105 -107.15 138.73 42.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t 59.22 38.82 23.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.154 0.502 . . . . 0.0 110.642 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.08 64.79 0.27 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.505 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -69.67 -76.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 110.636 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -123.02 -10.25 8.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.455 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -67.29 -37.29 83.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.438 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.4 tmm_? -74.68 -32.11 62.11 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.46 -48.62 60.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.741 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -65.94 -31.77 72.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.463 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.1 ptm85 -72.33 -34.02 67.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.434 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 8' ' ' ARG . 42.8 mm -79.68 -29.83 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.054 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -52.18 -41.37 62.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.726 175.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 66.0 mt -56.29 -47.65 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.839 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -74.5 -36.98 63.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.473 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -68.89 -29.83 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 54.1 tp -65.28 -46.72 79.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 110.055 173.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 13.4 mm-40 -53.42 -36.14 61.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.418 174.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 79.7 t80 -60.97 -50.08 74.85 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.481 176.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.99 -42.67 85.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.928 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 52.8 mt -63.86 -44.78 92.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.24 -37.05 77.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -69.25 -36.9 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.466 . . . . 0.0 110.304 177.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m -95.07 36.86 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.71 -33.17 74.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.474 175.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.34 141.98 16.6 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 172.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.4 -39.49 89.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.735 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -121.76 -51.07 2.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 172.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -147.15 160.51 42.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.325 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.413 ' C ' ' H ' ' A' ' 32' ' ' GLY . 43.6 t -95.0 68.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 20.7 t70 79.18 -29.12 0.15 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.05 -1.432 . . . . 0.0 110.729 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 99.5 -50.98 1.12 Allowed Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.516 -0.633 . . . . 0.0 111.516 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 61.4 18.81 9.67 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.154 0.581 . . . . 0.0 111.204 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -124.65 -55.01 1.64 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.038 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -163.15 178.46 8.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.124 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 . . . . . 0 C--O 1.245 0.864 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.316 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.702 0.287 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -109.48 -31.69 7.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.195 0.521 . . . . 0.0 110.442 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -109.88 48.92 0.86 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.499 0.666 . . . . 0.0 110.371 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.7 42.25 2.23 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.074 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -50.84 72.12 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.946 0.403 . . . . 0.0 110.978 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -70.73 -38.47 73.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.119 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -59.63 -46.11 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.44 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.632 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 43.9 ttt180 -64.79 -45.8 84.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 176.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -42.36 76.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.399 . . . . 0.0 111.404 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 14' ' ' ILE . 14.2 mm100 -73.12 -31.95 64.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.683 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 4.8 ptp180 -72.78 -30.4 64.08 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.685 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 8' ' ' ARG . 49.9 mm -66.67 -38.7 82.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.08 -40.36 89.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 10' ' ' GLN . 66.8 mt -59.86 -49.4 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.949 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -61.13 -46.13 91.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.902 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' C ' HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -65.67 -32.63 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.308 -177.552 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.0 tp -71.2 -53.87 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.537 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.66 -40.39 59.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -55.69 -47.43 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.06 -37.79 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.518 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 65.4 mt -62.18 -43.31 99.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.306 0.574 . . . . 0.0 109.993 178.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.6 -36.47 78.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.638 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -68.06 -38.07 82.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m -91.08 41.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.144 0.497 . . . . 0.0 111.319 -176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -85.86 -41.32 15.09 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.576 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.9 157.92 15.44 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.824 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.76 -30.58 70.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.058 0.456 . . . . 0.0 110.597 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -140.61 63.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.521 0.676 . . . . 0.0 109.954 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.6 m -70.34 156.13 39.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.643 174.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 t -113.7 59.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.451 0.643 . . . . 0.0 109.961 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -96.17 90.56 5.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.81 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.9 63.5 0.75 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.449 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -93.36 -16.5 24.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.688 0.28 . . . . 0.0 111.654 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -104.49 147.24 27.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.623 0.249 . . . . 0.0 110.743 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 58.75 74.59 0.43 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.58 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.471 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.288 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.885 0.374 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -120.27 -46.92 2.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.044 0.45 . . . . 0.0 110.825 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -79.68 -49.75 11.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.534 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.96 52.96 3.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.73 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -68.49 -48.31 64.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.999 0.428 . . . . 0.0 111.41 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.51 -31.33 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.017 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -64.34 -35.56 81.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.09 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.619 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 2.8 tmm_? -73.91 -34.02 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.565 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.39 77.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -72.55 -27.09 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.333 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.2 ptm180 -75.51 -20.34 58.8 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.204 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 8' ' ' ARG . 71.7 mt -69.99 -32.62 52.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 7.3 tt -58.13 -36.22 72.63 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.63 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -56.36 -48.77 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -68.73 -38.3 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.333 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -70.47 -33.93 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.068 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.7 -53.42 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.325 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.01 -32.6 66.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.711 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -67.97 -53.33 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.41 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 HD11 ' O ' ' A' ' 16' ' ' LEU . 6.3 mp -57.38 -50.18 73.8 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.37 -16.18 63.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -98.89 -45.14 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.018 0.437 . . . . 0.0 110.768 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -66.85 -35.91 81.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t -93.21 18.11 10.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.514 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.9 p -66.03 -37.88 87.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.314 0.578 . . . . 0.0 109.832 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.65 74.6 1.93 Allowed Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.109 174.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.22 -5.7 24.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.286 0.565 . . . . 0.0 111.36 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.87 -28.9 70.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.477 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.8 m -124.7 -161.05 0.98 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.622 177.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t 67.63 97.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.441 0.638 . . . . 0.0 111.587 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.79 13.75 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.703 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.26 -19.08 78.5 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.947 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt 71.9 97.33 0.07 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.575 0.702 . . . . 0.0 110.95 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -51.89 -37.01 50.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.524 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -90.13 95.2 10.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.077 0.465 . . . . 0.0 110.448 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.976 176.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 58.68 26.91 15.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.476 0.655 . . . . 0.0 110.604 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p -159.47 99.32 1.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.02 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.92 -14.39 13.83 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.218 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 p -105.65 -64.97 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.969 0.385 . . . . 0.0 111.393 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -83.88 15.1 3.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.968 0.413 . . . . 0.0 111.508 -174.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -2.9 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.239 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.591 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.7 mpt_? -88.72 -23.92 22.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.979 0.418 . . . . 0.0 109.974 176.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.45 -37.91 50.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -63.17 -30.63 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 9.1 ptm180 -72.13 -26.37 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.133 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.657 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 71.0 mt -67.28 -41.18 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.579 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.96 -31.99 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.842 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 61.7 mt -61.18 -49.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -60.68 -44.88 95.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.5 mt -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.498 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 53.1 tp -55.37 -53.52 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.193 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 10.1 mm-40 -55.67 -42.46 75.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.44 -45.08 77.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 110.566 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 ' O ' ' A' ' 16' ' ' LEU . 4.9 mp -59.22 -41.16 87.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.438 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 63.6 mt -62.83 -41.11 99.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.25 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' O ' HG21 ' A' ' 25' ' ' THR . 32.4 t70 -66.22 -46.62 76.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.207 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -74.05 -29.28 61.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.377 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.63 -29.88 70.94 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.042 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.479 HG21 ' O ' ' A' ' 22' ' ' ASP . 6.5 t -66.23 -22.65 66.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 110.619 -177.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.47 173.3 49.57 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.831 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -90.6 -58.44 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.28 -20.61 54.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.364 172.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.4 t 66.18 -160.21 0.26 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.331 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.7 m -89.51 2.79 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.393 0.616 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.87 -60.95 1.58 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.244 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.86 6.09 62.79 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.814 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -107.84 21.04 17.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.207 0.504 . . . . 0.0 110.773 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -64.24 113.45 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.413 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 61.79 28.44 17.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.816 -177.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.77 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.987 0.422 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -119.4 86.2 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.898 0.38 . . . . 0.0 110.369 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m 61.27 43.53 10.72 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.617 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.36 21.45 9.27 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.491 -0.861 . . . . 0.0 113.367 -174.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -67.43 -52.59 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.926 0.393 . . . . 0.0 110.816 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -80.42 2.71 23.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.241 0.543 . . . . 0.0 110.425 177.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -105.71 10.91 32.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.529 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.664 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 3.5 tmm_? -71.76 -43.71 65.31 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.01 65.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.244 0.545 . . . . 0.0 110.228 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.631 ' O ' HG12 ' A' ' 14' ' ' ILE . 15.7 mm100 -63.47 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 13.2 ptm180 -64.96 -35.16 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.616 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.6 mm -69.13 -42.64 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.3 tp -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.955 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 10' ' ' GLN . 42.7 mm -58.32 -44.61 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.984 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -69.49 -36.86 76.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.213 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.5 mt -67.34 -50.89 58.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.971 176.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 tt -58.53 -47.67 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.688 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.31 -33.04 72.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.045 0.45 . . . . 0.0 110.683 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -75.14 -45.82 38.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.593 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 95.5 mt -60.63 -41.93 95.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.616 -177.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.93 -31.56 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.981 0.419 . . . . 0.0 110.507 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -74.13 -36.28 64.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.769 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.31 -37.48 85.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.915 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -71.22 -66.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.969 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.4 p -101.88 -61.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.784 0.326 . . . . 0.0 111.078 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.89 129.01 4.4 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -112.18 -46.46 3.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -134.71 2.15 3.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.918 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 m 69.57 177.99 0.26 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.113 -177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -109.98 34.19 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 122.268 1.033 . . . . 0.0 109.73 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.23 -9.35 59.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.333 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.01 -3.13 50.78 Favored Glycine 0 C--N 1.333 0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.007 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttp 67.94 31.91 5.39 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.164 0.585 . . . . 0.0 111.987 173.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -98.38 50.32 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 171.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -89.05 -28.74 19.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.12 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.917 179.216 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -145.48 55.83 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 0.0 110.638 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 t -147.4 21.36 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.36 0.6 . . . . 0.0 110.334 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.38 54.64 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 p -58.02 -53.27 60.12 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -174.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.57 -46.09 80.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.644 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -59.62 -46.82 87.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.313 -176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 12' ' ' ILE . 6.9 tpp180 -62.74 -43.21 99.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.62 89.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -61.78 -37.95 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.526 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -70.1 -32.25 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.143 -178.262 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 8' ' ' ARG . 79.9 mt -64.16 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 0.0 110.063 177.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 80.7 mt -59.19 -36.27 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.37 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 37.1 mm -57.11 -49.73 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.667 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -70.84 -41.06 71.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.543 -177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -66.65 -29.5 69.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.9 tt -70.97 -41.64 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 59.0 mm-40 -54.53 -41.13 69.33 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.285 0.564 . . . . 0.0 109.877 174.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -62.36 -46.1 90.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.521 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 96.2 mt -60.81 -32.08 71.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.69 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 67.9 mt -65.19 -50.9 64.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 0.0 110.096 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.97 -38.96 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.946 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -53.85 -23.62 13.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.669 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t -65.96 -25.43 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.042 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -160.76 -44.28 0.04 OUTLIER 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.623 -179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.31 167.47 39.76 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.384 178.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.72 -37.55 87.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -128.51 -62.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.126 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 19.8 m -155.2 151.53 28.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.628 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.404 ' O ' HG11 ' A' ' 30' ' ' VAL . 4.8 t -113.8 12.98 8.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.836 0.827 . . . . 0.0 109.936 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -89.22 -6.28 56.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.181 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.58 -5.04 14.79 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.985 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 6.7 mmpt? -92.86 23.08 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 111.251 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 29' ' ' SER . 14.4 ptmm? -76.71 125.77 29.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -95.03 -20.59 19.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.902 -172.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.63 -0.7 . . . . 0.0 109.934 179.44 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.731 0.3 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 14' ' ' ILE . 82.0 mm-40 -63.06 -32.36 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 11' ' ' ARG . 2.4 ttt180 -69.7 -42.38 74.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.63 -33.75 65.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.998 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 16' ' ' LEU . 7.5 tt -60.48 -41.43 94.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.027 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 10' ' ' GLN . 67.6 mt -56.71 -45.05 82.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.068 0.461 . . . . 0.0 110.129 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -64.37 -46.39 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.805 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -67.01 -36.63 82.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.957 -178.004 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 61.3 tp -63.76 -51.79 63.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -55.26 -42.15 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.095 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.87 -49.97 75.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 16' ' ' LEU . 4.7 mp -56.4 -47.99 77.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 49.3 mt -65.47 -39.96 92.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.34 -41.71 84.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.822 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.198 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.655 -179.569 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.921 0.391 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -69.59 -25.97 64.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.013 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -68.92 -46.95 66.95 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.605 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.3 mt -66.4 -34.32 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.694 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.38 -37.26 67.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.522 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.68 -46.91 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.52 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -69.36 -37.75 77.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.2 mt -63.32 -46.35 87.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.061 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 tp -53.89 -54.33 40.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.955 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -55.91 -39.24 71.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.152 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -67.49 -47.7 69.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -59.29 -51.45 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.063 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 22' ' ' ASP . 4.1 pp -66.62 -33.64 76.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 111.175 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.499 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.6 t70 -71.15 -32.13 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.374 0.607 . . . . 0.0 110.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -81.17 -43.76 18.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.539 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.615 -177.018 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -75.34 -27.15 59.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.258 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -65.31 -27.14 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.634 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 46.9 mm -63.25 -30.7 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.466 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.5 -35.56 72.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.513 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.34 -44.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.96 -42.53 89.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.7 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 73.1 mt -58.53 -48.81 79.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 59.3 tp -54.48 -56.17 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.042 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.27 -35.44 73.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.437 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -69.16 -46.22 68.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.366 . . . . 0.0 110.42 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.0 mp -60.05 -41.06 91.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 59.4 mt -69.37 -41.13 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.459 . . . . 0.0 110.215 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.28 -45.66 93.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.058 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.27 -41.42 99.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.556 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.333 -179.051 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 121.158 0.504 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -70.78 -21.71 62.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.618 -177.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -72.92 -24.14 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.784 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -79.0 -34.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 16' ' ' LEU . 88.2 mt -58.37 -24.7 60.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.978 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.419 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 69.2 mt -64.13 -46.88 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -63.6 -40.57 97.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.181 0.515 . . . . 0.0 110.165 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.0 mt -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.014 177.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.57 -49.57 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.788 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 29.2 mt-10 -61.28 -26.42 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.904 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -76.29 -47.83 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.034 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.9 mt -61.39 -38.35 86.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.2 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.1 -9.52 58.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 111.439 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -105.23 -40.53 5.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.831 173.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -65.22 -17.1 64.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.015 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.361 178.906 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' OE1' ' HA ' ' A' ' 10' ' ' GLN . 11.9 mm-40 -73.43 -17.09 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.405 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -74.31 -30.59 62.12 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.8 mt -68.58 -36.28 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.74 -36.27 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.605 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.38 -41.82 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.298 0.571 . . . . 0.0 109.961 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 15.9 m-85 -69.45 -37.83 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.378 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.0 mt -60.96 -44.97 96.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.607 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.54 -50.96 71.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.739 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 15' ' ' PHE . 10.8 pt-20 -62.08 -27.88 69.22 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.271 0.558 . . . . 0.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -74.9 -47.96 27.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.322 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 97.0 mt -57.58 -44.27 85.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.253 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 22' ' ' ASP . 3.7 pp -64.83 -37.8 88.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.761 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.622 ' N ' HD12 ' A' ' 21' ' ' LEU . 21.8 t70 -71.93 -40.33 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -65.36 -38.46 90.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.189 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.124 177.877 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.629 0.252 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -65.05 -29.37 70.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.339 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -95.04 -43.75 7.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.664 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.4 -26.41 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 16' ' ' LEU . 61.5 tp -54.38 -39.62 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.775 175.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.15 -43.21 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.67 -39.18 88.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -70.7 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.24 -52.17 66.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.313 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.49 -43.45 89.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.863 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -58.29 -48.83 79.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.212 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 16' ' ' LEU . 6.0 mp -59.83 -47.3 86.29 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.34 -27.7 59.32 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.343 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.62 -38.77 64.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.059 0.456 . . . . 0.0 110.292 176.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -68.61 -35.69 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.109 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.77 -176.487 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -63.09 -33.14 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.891 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -72.74 -28.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.168 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.88 -37.16 77.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 109.816 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 11.0 mp -58.65 -32.05 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.164 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.77 -49.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -66.48 -39.15 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.305 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.557 ' CD2' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -68.51 -34.37 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.3 tt -68.54 -44.54 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -58.8 -39.84 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.725 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.57 -50.44 73.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.447 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -56.42 -35.51 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.687 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 57.9 mt -72.32 -54.04 10.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.767 0.318 . . . . 0.0 110.522 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.62 -42.65 99.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.516 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -61.56 -29.6 70.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.562 . . . . 0.0 110.512 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.436 -176.676 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.292 0.568 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -77.43 -14.65 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.428 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -76.35 -27.98 56.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.44 -29.76 46.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.791 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -56.01 -37.16 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.01 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.82 -47.83 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.05 -43.65 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.499 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.079 -178.023 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.7 tp -61.26 -53.8 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -62.47 -30.52 71.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.968 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.44 -49.55 71.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.7 mp -59.72 -38.37 81.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.508 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 62.1 mt -64.49 -46.7 81.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.472 . . . . 0.0 110.432 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.08 -30.46 66.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.02 -28.25 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.063 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.173 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.121 0.486 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.448 ' OE1' ' HA ' ' A' ' 10' ' ' GLN . 6.6 mm-40 -72.58 -24.57 61.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.119 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -77.12 -20.38 55.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.971 0.415 . . . . 0.0 110.048 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.9 mm -68.69 -30.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 92.4 mt -59.35 -29.23 67.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.91 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 43.4 mm -60.86 -48.49 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.111 0.481 . . . . 0.0 110.386 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -64.3 -43.84 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.066 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.4 mt -61.15 -44.42 97.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.133 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 3.3 tt -60.8 -41.93 96.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.415 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 50.1 mt-10 -62.71 -23.55 67.21 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.12 0.486 . . . . 0.0 110.87 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -83.99 -46.91 11.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.023 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.8 mt -59.35 -39.48 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.877 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 22' ' ' ASP . 4.6 pp -66.32 -31.19 71.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.705 0.288 . . . . 0.0 110.569 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.442 ' N ' HD12 ' A' ' 21' ' ' LEU . 25.5 t70 -80.84 -35.14 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.068 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.02 -47.33 80.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.58 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.578 178.613 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 13' ' ' LEU . . . . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' HG12 ' A' ' 14' ' ' ILE . 4.6 pp0? -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.393 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -71.36 -33.49 69.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 60.9 mt -69.56 -34.68 62.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.534 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 73.8 mt -62.03 -35.79 79.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.229 175.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 45.1 mm -66.53 -39.21 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.59 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 12' ' ' ILE . 16.0 m-30 -63.65 -43.76 95.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.35 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.93 -31.79 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.288 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.52 -47.59 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.511 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 44.4 mt-10 -63.03 -36.8 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.57 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -58.85 -42.6 89.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.958 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 84.8 mt -66.44 -23.72 66.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.6 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.47 -43.42 63.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 109.548 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.82 -40.45 79.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.324 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.62 -27.04 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.571 177.793 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.16 0 CA-C-O 120.391 0.139 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -24.46 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.369 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -86.94 -42.84 12.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.792 0.33 . . . . 0.0 110.487 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -65.73 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.937 0.398 . . . . 0.0 110.083 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 58.4 tp -54.85 -38.14 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.925 176.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.507 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 66.2 mt -59.78 -49.73 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.268 0.556 . . . . 0.0 110.3 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -70.93 -38.48 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.442 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -67.14 -31.61 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.461 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.26 -44.01 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 45.5 mt-10 -62.79 -31.18 72.1 Favored 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.695 177.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.26 -46.32 83.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.275 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.1 mm? -65.11 -32.66 74.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.075 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -75.88 -38.46 57.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.183 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -67.34 -46.57 73.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.013 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.6 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.877 176.396 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -65.94 -31.77 72.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.463 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 ptm85 -72.33 -34.02 67.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.434 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -79.68 -29.83 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.054 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -52.18 -41.37 62.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.726 175.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 66.0 mt -56.29 -47.65 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.839 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -74.5 -36.98 63.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.473 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -68.89 -29.83 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.848 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 54.1 tp -65.28 -46.72 79.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 110.055 173.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 13.4 mm-40 -53.42 -36.14 61.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.418 174.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 79.7 t80 -60.97 -50.08 74.85 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.481 176.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.3 mm? -57.99 -42.67 85.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.928 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 52.8 mt -63.86 -44.78 92.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.24 -37.05 77.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -69.25 -36.9 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.466 . . . . 0.0 110.304 177.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.613 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.939 0.399 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.488 ' O ' HG13 ' A' ' 14' ' ' ILE . 14.2 mm100 -73.12 -31.95 64.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.683 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -72.78 -30.4 64.08 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.685 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.67 -38.7 82.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.1 tp -60.08 -40.36 89.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 175.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 10' ' ' GLN . 66.8 mt -59.86 -49.4 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.949 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -61.13 -46.13 91.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.902 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -65.67 -32.63 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.308 -177.552 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.0 tp -71.2 -53.87 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.537 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.66 -40.39 59.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -55.69 -47.43 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? -73.06 -37.79 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.518 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 65.4 mt -62.18 -43.31 99.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.306 0.574 . . . . 0.0 109.993 178.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.6 -36.47 78.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.638 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -68.06 -38.07 82.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.144 0.497 . . . . 0.0 111.319 -176.475 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -72.55 -27.09 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.333 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -75.51 -20.34 58.8 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.204 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.99 -32.62 52.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 7.3 tt -58.13 -36.22 72.63 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.63 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -56.36 -48.77 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -68.73 -38.3 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.333 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -70.47 -33.93 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.068 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.7 -53.42 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.325 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.01 -32.6 66.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.711 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -67.97 -53.33 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.41 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 16' ' ' LEU . 6.3 mp -57.38 -50.18 73.8 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.37 -16.18 63.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -98.89 -45.14 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.018 0.437 . . . . 0.0 110.768 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -66.85 -35.91 81.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.514 -175.071 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -63.17 -30.63 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -72.13 -26.37 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.133 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.667 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 71.0 mt -67.28 -41.18 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.579 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.96 -31.99 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.842 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 61.7 mt -61.18 -49.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -60.68 -44.88 95.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.5 mt -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.498 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 53.1 tp -55.37 -53.52 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.193 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 10.1 mm-40 -55.67 -42.46 75.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.44 -45.08 77.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 110.566 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 16' ' ' LEU . 4.9 mp -59.22 -41.16 87.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.438 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 63.6 mt -62.83 -41.11 99.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.25 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.22 -46.62 76.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.207 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -74.05 -29.28 61.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.377 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.233 0.226 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.042 -175.737 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.244 0.545 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.64 ' O ' HG12 ' A' ' 14' ' ' ILE . 15.7 mm100 -63.47 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -64.96 -35.16 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.628 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.6 mm -69.13 -42.64 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.3 tp -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.955 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.64 HG12 ' O ' ' A' ' 10' ' ' GLN . 42.7 mm -58.32 -44.61 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.984 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -69.49 -36.86 76.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.213 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.5 mt -67.34 -50.89 58.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.971 176.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 21' ' ' LEU . 4.3 tt -58.53 -47.67 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.688 -177.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.31 -33.04 72.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.045 0.45 . . . . 0.0 110.683 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -75.14 -45.82 38.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.593 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 95.5 mt -60.63 -41.93 95.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.616 -177.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 17' ' ' LEU . 4.6 pp -69.93 -31.56 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.981 0.419 . . . . 0.0 110.507 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 t70 -74.13 -36.28 64.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.769 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.31 -37.48 85.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.915 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.969 178.829 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -61.78 -37.95 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.526 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -32.25 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.143 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.16 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 0.0 110.063 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 80.7 mt -59.19 -36.27 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.37 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 37.1 mm -57.11 -49.73 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.667 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -70.84 -41.06 71.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.543 -177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.65 -29.5 69.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.9 tt -70.97 -41.64 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 59.0 mm-40 -54.53 -41.13 69.33 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.285 0.564 . . . . 0.0 109.877 174.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -62.36 -46.1 90.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.521 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 96.2 mt -60.81 -32.08 71.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.69 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 67.9 mt -65.19 -50.9 64.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 0.0 110.096 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.97 -38.96 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.946 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -53.85 -23.62 13.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.669 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.042 -178.204 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.177 0.513 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -87.49 126.15 34.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.397 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -131.12 127.1 37.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.849 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.69 13.89 56.39 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.349 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 p -73.36 -58.38 3.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.847 0.355 . . . . 0.0 111.032 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.568 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 35.1 mmtp -106.36 33.61 3.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.598 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -64.82 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.551 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -74.18 -35.89 64.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.031 0.443 . . . . 0.0 109.949 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.98 -32.11 73.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.799 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 82.0 mm-40 -63.06 -32.36 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 11' ' ' ARG . 2.4 ttt180 -69.7 -42.38 74.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.63 -33.75 65.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.998 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 16' ' ' LEU . 7.5 tt -60.48 -41.43 94.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.027 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 10' ' ' GLN . 67.6 mt -56.71 -45.05 82.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.068 0.461 . . . . 0.0 110.129 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -64.37 -46.39 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.805 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -67.01 -36.63 82.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.957 -178.004 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 61.3 tp -63.76 -51.79 63.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -55.26 -42.15 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.095 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.87 -49.97 75.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 16' ' ' LEU . 4.7 mp -56.4 -47.99 77.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 49.3 mt -65.47 -39.96 92.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.34 -41.71 84.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.822 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.198 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.4 m -101.84 38.99 1.52 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.655 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -73.59 -20.31 60.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.102 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.84 151.55 39.37 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.265 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.7 -22.41 56.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.511 . . . . 0.0 110.608 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -81.04 -16.54 53.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.461 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 t 65.4 -164.57 0.24 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.174 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 12.1 p -140.42 49.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.546 1.165 . . . . 0.0 109.265 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -100.19 3.61 43.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.27 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.83 68.82 3.46 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 65.54 78.43 0.27 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.269 0.628 . . . . 0.0 109.831 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 18.1 ptpt -80.29 10.01 5.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.309 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 64.35 32.3 12.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.05 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.502 177.801 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 121.167 0.508 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.5 m-90 -97.94 151.45 20.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.308 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -78.82 67.36 4.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.63 39.21 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.918 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 p -95.92 -56.1 2.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.197 0.522 . . . . 0.0 110.738 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -71.96 -29.97 64.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.272 0.558 . . . . 0.0 109.904 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 10' ' ' GLN . 43.3 mmtm -77.26 -5.91 51.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.275 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -65.92 -52.42 50.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.23 -32.0 73.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.6 176.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 15.8 mm100 -69.59 -25.97 64.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.013 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -68.92 -46.95 66.95 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.605 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.3 mt -66.4 -34.32 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.694 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.38 -37.26 67.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.522 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.68 -46.91 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.52 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -69.36 -37.75 77.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.2 mt -63.32 -46.35 87.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.061 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 tp -53.89 -54.33 40.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.955 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -55.91 -39.24 71.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.152 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -67.49 -47.7 69.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -59.29 -51.45 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.063 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 22' ' ' ASP . 4.1 pp -66.62 -33.64 76.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 111.175 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.499 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.6 t70 -71.15 -32.13 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.374 0.607 . . . . 0.0 110.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -81.17 -43.76 18.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.539 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.24 -38.47 90.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.615 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 p -64.96 -35.35 80.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.899 0.381 . . . . 0.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.17 22.67 37.22 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.679 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.93 -61.74 1.73 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.021 0.439 . . . . 0.0 110.303 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -140.89 -6.68 1.1 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.801 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 p -108.27 178.11 4.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.375 -174.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.2 p 41.07 79.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 124.393 1.058 . . . . 0.0 112.414 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 1.5 m-20 -54.92 125.57 20.82 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.552 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.05 -47.18 1.77 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.778 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -85.81 -39.84 16.65 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . 7.7 mtpm? -90.74 38.28 0.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.344 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 34.8 ttm180 -96.25 106.2 18.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.163 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.392 -0.813 . . . . 0.0 109.772 179.677 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.596 0.236 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.1 m95 53.69 59.02 4.59 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.596 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -142.22 109.29 5.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.373 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.32 114.47 2.08 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.76 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -65.06 -47.23 78.06 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.301 0.572 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -69.23 -13.69 62.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.432 -0.803 . . . . 0.0 112.204 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HD3' ' OE1' ' A' ' 10' ' ' GLN . 42.4 mmtm -55.37 -38.92 69.47 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.27 0.557 . . . . 0.0 110.515 175.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.649 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.9 tmm_? -70.14 -41.15 74.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.993 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 -40.48 66.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.698 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' OE1' ' HD3' ' A' ' 7' ' ' LYS . 4.5 pt20 -75.34 -27.15 59.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.258 -176.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 3.8 ptp180 -65.31 -27.14 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.634 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 46.9 mm -63.25 -30.7 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.466 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.5 -35.56 72.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.513 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.34 -44.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.96 -42.53 89.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.7 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 73.1 mt -58.53 -48.81 79.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 59.3 tp -54.48 -56.17 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.042 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.27 -35.44 73.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.437 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -69.16 -46.22 68.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.366 . . . . 0.0 110.42 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.0 mp -60.05 -41.06 91.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 59.4 mt -69.37 -41.13 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.459 . . . . 0.0 110.215 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.28 -45.66 93.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.058 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.445 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 90.0 t80 -63.27 -41.42 99.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.556 176.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.94 -41.58 64.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.333 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -95.02 -34.51 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.891 0.377 . . . . 0.0 111.476 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.34 74.07 0.31 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.988 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 23' ' ' PHE . 39.8 mt-10 -76.68 -21.72 55.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.002 0.429 . . . . 0.0 110.082 174.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -132.4 -66.16 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.946 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 m -84.91 155.51 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -174.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t 58.32 71.71 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.515 0.674 . . . . 0.0 110.352 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -137.23 78.96 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.43 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.77 -57.0 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 59.44 59.99 2.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 122.969 0.507 . . . . 0.0 110.654 178.29 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -74.26 107.48 6.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.281 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -139.79 116.12 10.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.076 177.207 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -72.57 118.05 15.01 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 p -89.07 126.69 35.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.333 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.96 76.17 0.22 Allowed Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 p -58.29 -53.15 61.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -113.91 -2.91 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.28 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -63.57 -33.29 75.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 5.8 mpt_? -79.92 -21.99 43.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.592 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.85 -44.8 15.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.158 0.504 . . . . 0.0 110.337 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -70.78 -21.71 62.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.618 -177.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 39.1 ptt180 -72.92 -24.14 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.784 175.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -79.0 -34.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 16' ' ' LEU . 88.2 mt -58.37 -24.7 60.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.978 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.419 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 69.2 mt -64.13 -46.88 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -63.6 -40.57 97.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.181 0.515 . . . . 0.0 110.165 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.0 mt -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.014 177.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.57 -49.57 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.788 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 29.2 mt-10 -61.28 -26.42 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.904 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -76.29 -47.83 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.034 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.9 mt -61.39 -38.35 86.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.2 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.1 -9.52 58.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 111.439 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -105.23 -40.53 5.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.831 173.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -65.22 -17.1 64.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.015 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p -63.3 -13.7 41.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.361 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 p -67.17 -17.08 64.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.228 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.2 -122.79 22.11 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.803 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -81.7 -58.32 3.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 172.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -168.18 52.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.186 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 p -121.46 163.34 18.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.267 -175.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 t -130.39 48.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 109.248 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -89.58 125.59 35.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.55 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.35 -72.76 2.49 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.667 -0.697 . . . . 0.0 113.215 172.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp 58.34 45.71 16.55 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.229 0.537 . . . . 0.0 109.73 -171.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -70.95 -34.45 71.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.679 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -118.96 90.19 3.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.273 0.558 . . . . 0.0 110.25 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.686 -179.768 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.603 0.239 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -100.78 151.18 22.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.271 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -94.71 127.77 40.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.61 19.58 15.39 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.971 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -68.7 -69.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.932 0.396 . . . . 0.0 111.161 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -87.74 -7.31 57.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.206 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.2 -31.6 72.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.989 0.424 . . . . 0.0 110.345 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.496 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 33.0 mmt180 -69.46 -22.79 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.493 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.56 -42.57 14.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.477 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' OE1' ' HA ' ' A' ' 10' ' ' GLN . 11.9 mm-40 -73.43 -17.09 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.405 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 33.4 ptt180 -74.31 -30.59 62.12 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.8 mt -68.58 -36.28 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.74 -36.27 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.605 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.38 -41.82 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.298 0.571 . . . . 0.0 109.961 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 15.9 m-85 -69.45 -37.83 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.378 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.0 mt -60.96 -44.97 96.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.607 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.54 -50.96 71.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.739 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 15' ' ' PHE . 10.8 pt-20 -62.08 -27.88 69.22 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.271 0.558 . . . . 0.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -74.9 -47.96 27.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.322 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 97.0 mt -57.58 -44.27 85.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.253 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 22' ' ' ASP . 3.7 pp -64.83 -37.8 88.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.761 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.622 ' N ' HD12 ' A' ' 21' ' ' LEU . 21.8 t70 -71.93 -40.33 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -65.36 -38.46 90.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.189 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.6 t -63.28 -62.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.124 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 24' ' ' CYS . 9.0 t 172.57 -37.39 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.948 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.57 165.37 30.96 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.492 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HA ' HD13 ' A' ' 21' ' ' LEU . 46.0 mt-10 -56.03 -52.44 64.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.093 0.473 . . . . 0.0 110.921 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.25 -41.44 20.21 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t 63.79 -172.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.408 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p 32.36 74.22 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.265 1.026 . . . . 0.0 112.273 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.06 147.72 51.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.601 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.04 50.36 2.46 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.404 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -132.44 7.86 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.774 0.321 . . . . 0.0 111.081 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mtpt -85.25 -15.88 42.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.76 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -134.34 65.75 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.482 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.972 179.235 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.865 0.364 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -111.11 174.2 5.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.048 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p 49.39 84.1 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.445 0.698 . . . . 0.0 111.922 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.22 57.4 3.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.724 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -58.21 -50.27 74.14 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 122.879 0.472 . . . . 0.0 111.616 -175.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -88.83 13.65 12.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.947 0.403 . . . . 0.0 111.086 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -114.03 -54.03 2.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.626 177.239 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -71.23 -20.8 62.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.824 0.345 . . . . 0.0 111.079 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.3 -27.68 66.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.465 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -65.05 -29.37 70.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.339 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -95.04 -43.75 7.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.664 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.4 -26.41 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 16' ' ' LEU . 61.5 tp -54.38 -39.62 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.775 175.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.15 -43.21 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.67 -39.18 88.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -70.7 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.24 -52.17 66.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.313 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.49 -43.45 89.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.863 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -58.29 -48.83 79.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.212 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 16' ' ' LEU . 6.0 mp -59.83 -47.3 86.29 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.34 -27.7 59.32 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.343 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.62 -38.77 64.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.059 0.456 . . . . 0.0 110.292 176.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -68.61 -35.69 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.109 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 t -71.04 -1.34 11.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.77 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.2 p -77.04 -26.86 54.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.188 0.518 . . . . 0.0 110.323 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.74 53.26 1.97 Allowed Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.971 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -76.41 -51.06 12.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.818 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' H ' ' CD ' ' A' ' 27' ' ' GLU . 22.2 t70 -146.98 41.73 1.1 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -93.08 152.92 18.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.514 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.4 t -131.21 73.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -77.84 -171.1 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.918 -175.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.23 6.75 27.4 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -173.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -116.17 34.63 4.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.565 0.697 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -85.19 -49.23 8.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.985 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 56.83 67.78 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.581 0.551 . . . . 0.0 110.333 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.031 -179.28 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.914 0.387 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -61.99 -42.63 99.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.408 0.623 . . . . 0.0 110.616 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -94.32 76.32 3.94 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.441 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.57 91.22 1.58 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.959 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 p -76.16 -60.35 2.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.041 0.448 . . . . 0.0 111.399 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -69.69 -34.63 74.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.401 -174.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -66.46 -30.48 70.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.604 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.1 tmt_? -72.76 -44.87 61.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.8 68.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.745 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -63.09 -33.14 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.891 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.604 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 3.4 ptm180 -72.74 -28.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.168 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 8' ' ' ARG . 42.3 mm -61.88 -37.16 77.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 109.816 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 11.0 mp -58.65 -32.05 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.164 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.77 -49.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -66.48 -39.15 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.305 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.557 ' CD2' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -68.51 -34.37 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.3 tt -68.54 -44.54 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -58.8 -39.84 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.725 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.57 -50.44 73.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.447 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -56.42 -35.51 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.687 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 57.9 mt -72.32 -54.04 10.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.767 0.318 . . . . 0.0 110.522 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.62 -42.65 99.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.516 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -61.56 -29.6 70.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.562 . . . . 0.0 110.512 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m -110.3 41.92 1.65 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.436 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 21' ' ' LEU . 14.1 p -94.18 -95.38 0.16 Allowed 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.336 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.27 -25.37 61.63 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.982 -174.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.21 -18.77 44.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.099 0.476 . . . . 0.0 110.864 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -92.77 -47.23 7.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.304 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 m -68.32 152.63 45.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.72 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.99 68.83 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 122.713 1.244 . . . . 0.0 109.838 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -80.26 162.59 24.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.426 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.05 60.17 4.47 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.303 -0.475 . . . . 0.0 112.893 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -74.61 -31.43 62.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.004 0.43 . . . . 0.0 110.485 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -82.46 -0.74 47.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.223 0.535 . . . . 0.0 110.281 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -85.07 145.82 27.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.151 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.425 -179.244 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.647 0.261 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -62.61 119.1 8.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.527 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m 60.39 44.5 12.12 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.854 0.721 . . . . 0.0 110.405 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.85 -47.97 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -54.31 31.86 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.648 0.379 . . . . 0.0 111.76 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -103.56 27.86 7.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.998 0.427 . . . . 0.0 111.168 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -118.57 26.9 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 110.386 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.624 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 3.2 tmm_? -83.39 -54.78 4.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.784 -176.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.59 -24.28 53.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.292 0.568 . . . . 0.0 110.448 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -77.43 -14.65 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.428 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 9.3 ptm180 -76.35 -27.98 56.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.44 -29.76 46.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.791 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -56.01 -37.16 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.01 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.82 -47.83 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.05 -43.65 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.499 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.079 -178.023 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.7 tp -61.26 -53.8 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -62.47 -30.52 71.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.968 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.44 -49.55 71.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.7 mp -59.72 -38.37 81.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.508 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 62.1 mt -64.49 -46.7 81.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.472 . . . . 0.0 110.432 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.08 -30.46 66.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.02 -28.25 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.063 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.1 -26.05 31.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.173 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.7 p -82.73 -69.97 0.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.196 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.29 52.94 24.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.054 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -69.15 -19.14 64.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.271 -0.464 . . . . 0.0 111.425 -174.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -88.55 4.84 45.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.484 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.6 t 70.03 -165.44 0.16 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.438 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 33' ' ' LYS . 11.4 p 41.92 60.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 122.548 1.166 . . . . 0.0 111.212 -176.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.39 124.51 27.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.767 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.34 -46.39 2.0 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.299 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG2' HG22 ' A' ' 30' ' ' VAL . 58.2 mttp 59.43 58.75 2.86 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.332 0.587 . . . . 0.0 110.135 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -71.87 115.13 10.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.318 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -142.41 27.12 1.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.746 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.474 -179.719 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.85 0.357 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -169.71 -54.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 109.211 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -116.79 71.02 0.78 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.774 172.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.56 126.79 5.58 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 -171.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 p -55.2 -66.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.801 0.334 . . . . 0.0 111.358 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 51.6 mtmt -108.18 -14.36 14.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.913 0.387 . . . . 0.0 110.274 175.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.63 -31.97 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.965 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.602 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 3.5 tmt_? -65.0 -31.55 72.84 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.96 -33.42 57.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.121 0.486 . . . . 0.0 110.185 176.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 6.6 mm-40 -72.58 -24.57 61.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.119 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.5 ptm180 -77.12 -20.38 55.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.971 0.415 . . . . 0.0 110.048 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.9 mm -68.69 -30.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 92.4 mt -59.35 -29.23 67.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.91 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 43.4 mm -60.86 -48.49 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.111 0.481 . . . . 0.0 110.386 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -64.3 -43.84 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.066 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.4 mt -61.15 -44.42 97.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.133 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 3.3 tt -60.8 -41.93 96.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.415 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 50.1 mt-10 -62.71 -23.55 67.21 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.12 0.486 . . . . 0.0 110.87 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -83.99 -46.91 11.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.023 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.8 mt -59.35 -39.48 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.877 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 22' ' ' ASP . 4.6 pp -66.32 -31.19 71.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.705 0.288 . . . . 0.0 110.569 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.51 ' HA ' ' CA ' ' A' ' 26' ' ' GLY . 25.5 t70 -80.84 -35.14 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.068 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.02 -47.33 80.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.58 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.5 t -66.12 -60.08 3.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.578 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.5 p -116.39 -78.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.884 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' ' 22' ' ' ASP . . . 168.71 150.32 6.61 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.18 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -90.92 -26.16 19.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.127 0.489 . . . . 0.0 109.893 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.5 -25.27 25.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.517 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 p -158.44 150.47 21.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.375 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.1 t -129.52 75.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.375 0.607 . . . . 0.0 109.514 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -126.27 -174.9 3.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.518 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.469 ' HA2' ' HG3' ' A' ' 36' ' ' GLN . . . -111.59 24.62 14.96 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.903 -178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -64.15 -39.82 94.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.091 0.472 . . . . 0.0 109.765 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HG3' ' H ' ' A' ' 35' ' ' ARG . 18.3 ptmt -80.08 -62.09 1.79 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.58 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 15.3 tpt180 178.42 131.95 0.07 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.71 0.291 . . . . 0.0 110.962 178.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 35.1 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.582 170.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 121.099 0.476 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -133.0 106.74 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.249 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 m -80.49 68.01 6.53 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.682 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 7' ' ' LYS . . . -84.3 52.37 4.7 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.277 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -79.64 -51.1 9.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -112.67 8.16 18.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' CG ' ' HA2' ' A' ' 4' ' ' GLY . 31.6 mmmt -66.1 -26.49 67.49 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.669 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -104.78 -21.31 13.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.857 0.36 . . . . 0.0 110.036 174.412 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 13' ' ' LEU . . . -71.07 -31.69 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.771 177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' HG12 ' A' ' 14' ' ' ILE . 4.6 pp0? -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.393 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 18.1 ptt180 -71.36 -33.49 69.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 60.9 mt -69.56 -34.68 62.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.534 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 73.8 mt -62.03 -35.79 79.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.229 175.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 45.1 mm -66.53 -39.21 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.59 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 12' ' ' ILE . 16.0 m-30 -63.65 -43.76 95.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.35 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.93 -31.79 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.288 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.52 -47.59 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.511 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 44.4 mt-10 -63.03 -36.8 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.57 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -58.85 -42.6 89.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.958 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 84.8 mt -66.44 -23.72 66.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.6 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.47 -43.42 63.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 109.548 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.82 -40.45 79.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.324 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.62 -27.04 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t -61.34 -31.92 71.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.571 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -140.66 -89.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 178.634 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' H ' HG23 ' A' ' 25' ' ' THR . . . 66.15 30.26 76.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.71 174.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.88 -12.33 27.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.692 0.758 . . . . 0.0 109.167 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.588 ' O ' ' HB2' ' A' ' 29' ' ' SER . 20.7 t70 -137.16 -60.61 0.67 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.196 175.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.588 ' HB2' ' O ' ' A' ' 28' ' ' ASP . 7.0 t 162.88 -170.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 O-C-N 124.345 1.028 . . . . 0.0 108.592 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.89 69.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 t70 60.29 75.77 0.39 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.096 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.71 -65.25 4.11 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -176.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -154.68 -54.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -139.44 126.06 20.58 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -85.53 63.01 7.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.324 0.583 . . . . 0.0 109.774 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.891 -177.637 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.62 0.248 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -89.78 155.99 18.81 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -57.89 101.69 0.08 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.576 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.36 -62.2 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.133 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p -76.73 -57.45 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.037 0.446 . . . . 0.0 110.572 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -97.24 38.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.254 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -62.99 -20.93 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.436 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -69.95 -55.17 10.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.63 94.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.154 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -24.46 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.369 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -86.94 -42.84 12.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.792 0.33 . . . . 0.0 110.487 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -65.73 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.937 0.398 . . . . 0.0 110.083 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 58.4 tp -54.85 -38.14 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.925 176.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.507 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 66.2 mt -59.78 -49.73 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.268 0.556 . . . . 0.0 110.3 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -70.93 -38.48 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.442 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -67.14 -31.61 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.461 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.26 -44.01 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 45.5 mt-10 -62.79 -31.18 72.1 Favored 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.695 177.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.26 -46.32 83.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.275 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.1 mm? -65.11 -32.66 74.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.075 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -75.88 -38.46 57.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' O ' ' HB ' ' A' ' 25' ' ' THR . 22.8 t70 -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.183 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -67.34 -46.57 73.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.013 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.1 46.28 1.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.877 176.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -68.72 -20.19 64.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.263 -175.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.33 120.96 4.05 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.387 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.18 -22.48 60.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.283 0.563 . . . . 0.0 109.854 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.98 -14.04 60.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.461 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -94.49 -173.29 3.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.887 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.38 84.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.854 0.835 . . . . 0.0 110.406 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.02 111.75 1.61 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.931 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.47 100.14 0.14 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.576 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 59.81 65.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.3 0.572 . . . . 0.0 111.329 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -81.42 -40.56 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.598 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -95.8 97.84 9.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.972 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.23 -178.218 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 43.1 t-105 -107.15 138.73 42.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t 59.22 38.82 23.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.154 0.502 . . . . 0.0 110.642 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.08 64.79 0.27 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.505 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -69.67 -76.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 110.636 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -123.02 -10.25 8.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.455 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -67.29 -37.29 83.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.438 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.553 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.4 tmm_? -74.68 -32.11 62.11 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.46 -48.62 60.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.741 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -65.94 -31.77 72.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.463 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.1 ptm85 -72.33 -34.02 67.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.434 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 8' ' ' ARG . 42.8 mm -79.68 -29.83 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.054 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -52.18 -41.37 62.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.726 175.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 66.0 mt -56.29 -47.65 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.839 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -74.5 -36.98 63.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.473 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -68.89 -29.83 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 54.1 tp -65.28 -46.72 79.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 110.055 173.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 13.4 mm-40 -53.42 -36.14 61.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.418 174.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 79.7 t80 -60.97 -50.08 74.85 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.481 176.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.3 mm? -57.99 -42.67 85.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.928 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 52.8 mt -63.86 -44.78 92.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.24 -37.05 77.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -69.25 -36.9 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.466 . . . . 0.0 110.304 177.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m -95.07 36.86 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.71 -33.17 74.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.474 175.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.34 141.98 16.6 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 172.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.4 -39.49 89.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.735 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -121.76 -51.07 2.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 172.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -147.15 160.51 42.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.325 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 43.6 t -95.0 68.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 20.7 t70 79.18 -29.12 0.15 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.05 -1.432 . . . . 0.0 110.729 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.5 -50.98 1.12 Allowed Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.516 -0.633 . . . . 0.0 111.516 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 61.4 18.81 9.67 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.154 0.581 . . . . 0.0 111.204 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -124.65 -55.01 1.64 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.038 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -163.15 178.46 8.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.124 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 . . . . . 0 C--O 1.245 0.864 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.316 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.702 0.287 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -109.48 -31.69 7.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.195 0.521 . . . . 0.0 110.442 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -109.88 48.92 0.86 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.499 0.666 . . . . 0.0 110.371 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.7 42.25 2.23 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.074 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -50.84 72.12 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.946 0.403 . . . . 0.0 110.978 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -70.73 -38.47 73.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.119 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -59.63 -46.11 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.44 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.651 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 43.9 ttt180 -64.79 -45.8 84.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 176.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -42.36 76.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.399 . . . . 0.0 111.404 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.488 ' O ' HG13 ' A' ' 14' ' ' ILE . 14.2 mm100 -73.12 -31.95 64.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.683 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 4.8 ptp180 -72.78 -30.4 64.08 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.685 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 8' ' ' ARG . 49.9 mm -66.67 -38.7 82.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.1 tp -60.08 -40.36 89.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 175.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 10' ' ' GLN . 66.8 mt -59.86 -49.4 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.949 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -61.13 -46.13 91.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.902 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -65.67 -32.63 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.308 -177.552 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.0 tp -71.2 -53.87 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.537 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.66 -40.39 59.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -55.69 -47.43 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? -73.06 -37.79 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.518 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 65.4 mt -62.18 -43.31 99.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.306 0.574 . . . . 0.0 109.993 178.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.6 -36.47 78.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.638 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -68.06 -38.07 82.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m -91.08 41.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.144 0.497 . . . . 0.0 111.319 -176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -85.86 -41.32 15.09 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.576 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.9 157.92 15.44 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.824 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.76 -30.58 70.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.058 0.456 . . . . 0.0 110.597 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -140.61 63.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.521 0.676 . . . . 0.0 109.954 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.6 m -70.34 156.13 39.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.643 174.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 t -113.7 59.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.451 0.643 . . . . 0.0 109.961 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -96.17 90.56 5.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.81 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.9 63.5 0.75 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.449 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -93.36 -16.5 24.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.688 0.28 . . . . 0.0 111.654 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -104.49 147.24 27.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.623 0.249 . . . . 0.0 110.743 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 58.75 74.59 0.43 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.58 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.288 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.885 0.374 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -120.27 -46.92 2.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.044 0.45 . . . . 0.0 110.825 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -79.68 -49.75 11.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.534 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.96 52.96 3.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.73 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -68.49 -48.31 64.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.999 0.428 . . . . 0.0 111.41 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.51 -31.33 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.017 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -64.34 -35.56 81.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.09 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.634 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 2.8 tmm_? -73.91 -34.02 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.565 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.39 77.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -72.55 -27.09 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.333 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.2 ptm180 -75.51 -20.34 58.8 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.204 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 8' ' ' ARG . 71.7 mt -69.99 -32.62 52.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 7.3 tt -58.13 -36.22 72.63 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.63 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -56.36 -48.77 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -68.73 -38.3 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.333 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -70.47 -33.93 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.068 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.7 -53.42 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.325 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.01 -32.6 66.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.711 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -67.97 -53.33 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.41 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 16' ' ' LEU . 6.3 mp -57.38 -50.18 73.8 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.37 -16.18 63.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -98.89 -45.14 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.018 0.437 . . . . 0.0 110.768 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -66.85 -35.91 81.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t -93.21 18.11 10.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.514 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.9 p -66.03 -37.88 87.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.314 0.578 . . . . 0.0 109.832 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.65 74.6 1.93 Allowed Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.109 174.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.22 -5.7 24.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.286 0.565 . . . . 0.0 111.36 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.87 -28.9 70.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.477 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.8 m -124.7 -161.05 0.98 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.622 177.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t 67.63 97.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.441 0.638 . . . . 0.0 111.587 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.79 13.75 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.703 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.26 -19.08 78.5 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.947 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt 71.9 97.33 0.07 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.575 0.702 . . . . 0.0 110.95 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -51.89 -37.01 50.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.524 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -90.13 95.2 10.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.077 0.465 . . . . 0.0 110.448 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.976 176.937 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 58.68 26.91 15.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.476 0.655 . . . . 0.0 110.604 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p -159.47 99.32 1.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.02 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.92 -14.39 13.83 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.218 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 p -105.65 -64.97 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.969 0.385 . . . . 0.0 111.393 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -83.88 15.1 3.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.968 0.413 . . . . 0.0 111.508 -174.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -2.9 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.239 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.7 mpt_? -88.72 -23.92 22.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.979 0.418 . . . . 0.0 109.974 176.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.45 -37.91 50.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -63.17 -30.63 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 9.1 ptm180 -72.13 -26.37 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.133 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.667 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 71.0 mt -67.28 -41.18 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.579 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.96 -31.99 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.842 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 61.7 mt -61.18 -49.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -60.68 -44.88 95.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.5 mt -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.498 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 53.1 tp -55.37 -53.52 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.193 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 10.1 mm-40 -55.67 -42.46 75.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.44 -45.08 77.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 110.566 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 16' ' ' LEU . 4.9 mp -59.22 -41.16 87.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.438 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 63.6 mt -62.83 -41.11 99.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.25 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' O ' HG22 ' A' ' 25' ' ' THR . 32.4 t70 -66.22 -46.62 76.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.207 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -74.05 -29.28 61.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.377 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.63 -29.88 70.94 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.042 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 22' ' ' ASP . 6.5 t -66.23 -22.65 66.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 110.619 -177.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.47 173.3 49.57 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.831 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -90.6 -58.44 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.28 -20.61 54.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.364 172.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.4 t 66.18 -160.21 0.26 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.331 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.7 m -89.51 2.79 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.393 0.616 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.87 -60.95 1.58 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.244 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.86 6.09 62.79 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.814 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -107.84 21.04 17.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.207 0.504 . . . . 0.0 110.773 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -64.24 113.45 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.413 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 61.79 28.44 17.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.816 -177.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.77 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.987 0.422 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -119.4 86.2 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.898 0.38 . . . . 0.0 110.369 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m 61.27 43.53 10.72 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.617 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.36 21.45 9.27 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.491 -0.861 . . . . 0.0 113.367 -174.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -67.43 -52.59 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.926 0.393 . . . . 0.0 110.816 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -80.42 2.71 23.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.241 0.543 . . . . 0.0 110.425 177.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -105.71 10.91 32.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.529 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.677 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 3.5 tmm_? -71.76 -43.71 65.31 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.01 65.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.244 0.545 . . . . 0.0 110.228 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.64 ' O ' HG12 ' A' ' 14' ' ' ILE . 15.7 mm100 -63.47 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 13.2 ptm180 -64.96 -35.16 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.628 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.6 mm -69.13 -42.64 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.3 tp -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.955 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.64 HG12 ' O ' ' A' ' 10' ' ' GLN . 42.7 mm -58.32 -44.61 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.984 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -69.49 -36.86 76.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.213 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.5 mt -67.34 -50.89 58.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.971 176.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 21' ' ' LEU . 4.3 tt -58.53 -47.67 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.688 -177.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.31 -33.04 72.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.045 0.45 . . . . 0.0 110.683 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -75.14 -45.82 38.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.593 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 95.5 mt -60.63 -41.93 95.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.616 -177.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 17' ' ' LEU . 4.6 pp -69.93 -31.56 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.981 0.419 . . . . 0.0 110.507 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 t70 -74.13 -36.28 64.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.769 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.31 -37.48 85.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.915 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -71.22 -66.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.969 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.4 p -101.88 -61.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.784 0.326 . . . . 0.0 111.078 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.89 129.01 4.4 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -112.18 -46.46 3.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -134.71 2.15 3.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.918 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 m 69.57 177.99 0.26 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.113 -177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -109.98 34.19 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 122.268 1.033 . . . . 0.0 109.73 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.23 -9.35 59.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.333 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.01 -3.13 50.78 Favored Glycine 0 C--N 1.333 0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.007 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttp 67.94 31.91 5.39 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.164 0.585 . . . . 0.0 111.987 173.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -98.38 50.32 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 171.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -89.05 -28.74 19.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.12 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 36' ' ' GLN . 12.2 mm-40 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.917 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -145.48 55.83 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 0.0 110.638 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 t -147.4 21.36 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.36 0.6 . . . . 0.0 110.334 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.38 54.64 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 p -58.02 -53.27 60.12 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -174.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.57 -46.09 80.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.644 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -59.62 -46.82 87.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.313 -176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.538 ' O ' HG13 ' A' ' 12' ' ' ILE . 6.9 tpp180 -62.74 -43.21 99.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.62 89.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -61.78 -37.95 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.526 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -70.1 -32.25 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.143 -178.262 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 8' ' ' ARG . 79.9 mt -64.16 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 0.0 110.063 177.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 80.7 mt -59.19 -36.27 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.37 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 37.1 mm -57.11 -49.73 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.667 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -70.84 -41.06 71.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.543 -177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.65 -29.5 69.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.9 tt -70.97 -41.64 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 59.0 mm-40 -54.53 -41.13 69.33 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.285 0.564 . . . . 0.0 109.877 174.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -62.36 -46.1 90.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.521 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 96.2 mt -60.81 -32.08 71.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.69 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 67.9 mt -65.19 -50.9 64.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 0.0 110.096 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.97 -38.96 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.946 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -53.85 -23.62 13.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.669 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t -65.96 -25.43 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.042 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -160.76 -44.28 0.04 OUTLIER 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.623 -179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.31 167.47 39.76 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.384 178.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.72 -37.55 87.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -128.51 -62.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.126 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 19.8 m -155.2 151.53 28.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.628 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 30' ' ' VAL . 4.8 t -113.8 12.98 8.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.836 0.827 . . . . 0.0 109.936 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -89.22 -6.28 56.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.181 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.58 -5.04 14.79 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.985 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 6.7 mmpt? -92.86 23.08 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 111.251 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 29' ' ' SER . 14.4 ptmm? -76.71 125.77 29.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -95.03 -20.59 19.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.902 -172.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.63 -0.7 . . . . 0.0 109.934 179.44 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.731 0.3 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 14' ' ' ILE . 82.0 mm-40 -63.06 -32.36 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 11' ' ' ARG . 2.4 ttt180 -69.7 -42.38 74.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.63 -33.75 65.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.998 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 16' ' ' LEU . 7.5 tt -60.48 -41.43 94.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.027 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 10' ' ' GLN . 67.6 mt -56.71 -45.05 82.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.068 0.461 . . . . 0.0 110.129 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -64.37 -46.39 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.805 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -67.01 -36.63 82.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.957 -178.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 61.3 tp -63.76 -51.79 63.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -55.26 -42.15 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.095 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.87 -49.97 75.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 16' ' ' LEU . 4.7 mp -56.4 -47.99 77.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 49.3 mt -65.47 -39.96 92.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.34 -41.71 84.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.822 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.198 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.655 -179.569 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.921 0.391 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -69.59 -25.97 64.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.013 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -68.92 -46.95 66.95 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.605 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.3 mt -66.4 -34.32 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.694 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.38 -37.26 67.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.522 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.68 -46.91 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.52 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -69.36 -37.75 77.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.2 mt -63.32 -46.35 87.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.061 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 tp -53.89 -54.33 40.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.955 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -55.91 -39.24 71.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.152 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -67.49 -47.7 69.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -59.29 -51.45 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.063 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 22' ' ' ASP . 4.1 pp -66.62 -33.64 76.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 111.175 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.499 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.6 t70 -71.15 -32.13 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.374 0.607 . . . . 0.0 110.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -81.17 -43.76 18.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.539 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.615 -177.018 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -75.34 -27.15 59.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.258 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -65.31 -27.14 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.634 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 46.9 mm -63.25 -30.7 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.466 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.5 -35.56 72.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.513 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.34 -44.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.96 -42.53 89.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.7 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 73.1 mt -58.53 -48.81 79.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 59.3 tp -54.48 -56.17 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.042 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.27 -35.44 73.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.437 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -69.16 -46.22 68.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.366 . . . . 0.0 110.42 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.0 mp -60.05 -41.06 91.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 59.4 mt -69.37 -41.13 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.459 . . . . 0.0 110.215 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.28 -45.66 93.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.058 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.27 -41.42 99.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.556 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.333 -179.051 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 121.158 0.504 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -70.78 -21.71 62.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.618 -177.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -72.92 -24.14 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.784 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -79.0 -34.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 16' ' ' LEU . 88.2 mt -58.37 -24.7 60.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.978 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.419 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 69.2 mt -64.13 -46.88 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -63.6 -40.57 97.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.181 0.515 . . . . 0.0 110.165 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.0 mt -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.014 177.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.57 -49.57 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.788 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 29.2 mt-10 -61.28 -26.42 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.904 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -76.29 -47.83 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.034 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.9 mt -61.39 -38.35 86.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.2 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.1 -9.52 58.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 111.439 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -105.23 -40.53 5.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.831 173.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -65.22 -17.1 64.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.015 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.361 178.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 11.9 mm-40 -73.43 -17.09 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.405 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -74.31 -30.59 62.12 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.8 mt -68.58 -36.28 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.74 -36.27 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.605 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.38 -41.82 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.298 0.571 . . . . 0.0 109.961 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 15.9 m-85 -69.45 -37.83 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.378 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.0 mt -60.96 -44.97 96.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.607 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.54 -50.96 71.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.739 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 15' ' ' PHE . 10.8 pt-20 -62.08 -27.88 69.22 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.271 0.558 . . . . 0.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -74.9 -47.96 27.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.322 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 97.0 mt -57.58 -44.27 85.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.253 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 22' ' ' ASP . 3.7 pp -64.83 -37.8 88.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.761 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.622 ' N ' HD12 ' A' ' 21' ' ' LEU . 21.8 t70 -71.93 -40.33 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -65.36 -38.46 90.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.189 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.124 177.877 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.629 0.252 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -65.05 -29.37 70.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.339 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -95.04 -43.75 7.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.664 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.4 -26.41 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 16' ' ' LEU . 61.5 tp -54.38 -39.62 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.775 175.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.15 -43.21 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.67 -39.18 88.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -70.7 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.24 -52.17 66.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.313 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.49 -43.45 89.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.863 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -58.29 -48.83 79.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.212 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 16' ' ' LEU . 6.0 mp -59.83 -47.3 86.29 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.34 -27.7 59.32 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.343 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.62 -38.77 64.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.059 0.456 . . . . 0.0 110.292 176.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -68.61 -35.69 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.109 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 t . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.77 -176.487 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.09 -33.14 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.891 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -72.74 -28.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.168 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.88 -37.16 77.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 109.816 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 11.0 mp -58.65 -32.05 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.164 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.77 -49.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -66.48 -39.15 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.305 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.557 ' CD2' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -68.51 -34.37 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.3 tt -68.54 -44.54 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -58.8 -39.84 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.725 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.57 -50.44 73.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.447 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -56.42 -35.51 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.687 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 57.9 mt -72.32 -54.04 10.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.767 0.318 . . . . 0.0 110.522 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.62 -42.65 99.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.516 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -61.56 -29.6 70.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.562 . . . . 0.0 110.512 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.436 -176.676 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.292 0.568 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -77.43 -14.65 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.428 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -76.35 -27.98 56.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.44 -29.76 46.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.791 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -56.01 -37.16 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.01 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.82 -47.83 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.05 -43.65 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.499 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.079 -178.023 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.7 tp -61.26 -53.8 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -62.47 -30.52 71.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.968 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.44 -49.55 71.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.7 mp -59.72 -38.37 81.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.508 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 62.1 mt -64.49 -46.7 81.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.472 . . . . 0.0 110.432 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.08 -30.46 66.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.02 -28.25 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.063 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.173 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.121 0.486 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 6.6 mm-40 -72.58 -24.57 61.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.119 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -77.12 -20.38 55.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.971 0.415 . . . . 0.0 110.048 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.9 mm -68.69 -30.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 92.4 mt -59.35 -29.23 67.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.91 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 43.4 mm -60.86 -48.49 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.111 0.481 . . . . 0.0 110.386 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -64.3 -43.84 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.066 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.4 mt -61.15 -44.42 97.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.133 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 3.3 tt -60.8 -41.93 96.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.415 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 50.1 mt-10 -62.71 -23.55 67.21 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.12 0.486 . . . . 0.0 110.87 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -83.99 -46.91 11.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.023 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.8 mt -59.35 -39.48 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.877 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 22' ' ' ASP . 4.6 pp -66.32 -31.19 71.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.705 0.288 . . . . 0.0 110.569 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.442 ' N ' HD12 ' A' ' 21' ' ' LEU . 25.5 t70 -80.84 -35.14 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.068 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.02 -47.33 80.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.58 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.578 178.613 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 13' ' ' LEU . . . . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' HG12 ' A' ' 14' ' ' ILE . 4.6 pp0? -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.393 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -71.36 -33.49 69.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 60.9 mt -69.56 -34.68 62.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.534 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 73.8 mt -62.03 -35.79 79.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.229 175.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 45.1 mm -66.53 -39.21 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.59 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 12' ' ' ILE . 16.0 m-30 -63.65 -43.76 95.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.35 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.93 -31.79 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.288 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.52 -47.59 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.511 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 44.4 mt-10 -63.03 -36.8 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.57 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -58.85 -42.6 89.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.958 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 84.8 mt -66.44 -23.72 66.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.6 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.47 -43.42 63.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 109.548 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.82 -40.45 79.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.324 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.62 -27.04 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.571 177.793 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.16 0 CA-C-O 120.391 0.139 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -24.46 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.369 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -86.94 -42.84 12.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.792 0.33 . . . . 0.0 110.487 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -65.73 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.937 0.398 . . . . 0.0 110.083 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 58.4 tp -54.85 -38.14 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.925 176.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.507 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 66.2 mt -59.78 -49.73 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.268 0.556 . . . . 0.0 110.3 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -70.93 -38.48 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.442 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -67.14 -31.61 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.461 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.26 -44.01 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 45.5 mt-10 -62.79 -31.18 72.1 Favored 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.695 177.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.26 -46.32 83.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.275 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.1 mm? -65.11 -32.66 74.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.075 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -75.88 -38.46 57.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.183 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -67.34 -46.57 73.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.013 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.6 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.877 176.396 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -65.94 -31.77 72.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.463 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 ptm85 -72.33 -34.02 67.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.434 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -79.68 -29.83 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.054 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -52.18 -41.37 62.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.726 175.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 66.0 mt -56.29 -47.65 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.839 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -74.5 -36.98 63.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.473 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -68.89 -29.83 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 54.1 tp -65.28 -46.72 79.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 110.055 173.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 13.4 mm-40 -53.42 -36.14 61.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.418 174.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 79.7 t80 -60.97 -50.08 74.85 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.481 176.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.3 mm? -57.99 -42.67 85.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.928 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 52.8 mt -63.86 -44.78 92.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.24 -37.05 77.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -69.25 -36.9 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.466 . . . . 0.0 110.304 177.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.613 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 0 CA-C-O 120.939 0.399 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.488 ' O ' HG13 ' A' ' 14' ' ' ILE . 14.2 mm100 -73.12 -31.95 64.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.683 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -72.78 -30.4 64.08 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.685 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.67 -38.7 82.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.1 tp -60.08 -40.36 89.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 175.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 10' ' ' GLN . 66.8 mt -59.86 -49.4 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.949 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -61.13 -46.13 91.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.902 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -65.67 -32.63 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.308 -177.552 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.0 tp -71.2 -53.87 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.537 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.66 -40.39 59.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -55.69 -47.43 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? -73.06 -37.79 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.518 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 65.4 mt -62.18 -43.31 99.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.306 0.574 . . . . 0.0 109.993 178.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.6 -36.47 78.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.638 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -68.06 -38.07 82.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.144 0.497 . . . . 0.0 111.319 -176.475 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -72.55 -27.09 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.333 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -75.51 -20.34 58.8 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.204 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.99 -32.62 52.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 7.3 tt -58.13 -36.22 72.63 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.63 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -56.36 -48.77 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -68.73 -38.3 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.333 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -70.47 -33.93 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.068 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.7 -53.42 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.325 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.01 -32.6 66.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.711 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -67.97 -53.33 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.41 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 16' ' ' LEU . 6.3 mp -57.38 -50.18 73.8 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.37 -16.18 63.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -98.89 -45.14 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.018 0.437 . . . . 0.0 110.768 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -66.85 -35.91 81.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.514 -175.071 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -63.17 -30.63 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -72.13 -26.37 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.133 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.667 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 71.0 mt -67.28 -41.18 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.579 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.96 -31.99 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.842 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 61.7 mt -61.18 -49.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -60.68 -44.88 95.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.5 mt -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.498 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 53.1 tp -55.37 -53.52 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.193 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 10.1 mm-40 -55.67 -42.46 75.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.44 -45.08 77.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 110.566 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 16' ' ' LEU . 4.9 mp -59.22 -41.16 87.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.438 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 63.6 mt -62.83 -41.11 99.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.25 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.22 -46.62 76.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.207 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -74.05 -29.28 61.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.377 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.233 0.226 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.042 -175.737 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.244 0.545 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.64 ' O ' HG12 ' A' ' 14' ' ' ILE . 15.7 mm100 -63.47 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -64.96 -35.16 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.628 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.6 mm -69.13 -42.64 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.3 tp -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.955 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.64 HG12 ' O ' ' A' ' 10' ' ' GLN . 42.7 mm -58.32 -44.61 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.984 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -69.49 -36.86 76.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.213 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.5 mt -67.34 -50.89 58.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.971 176.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 21' ' ' LEU . 4.3 tt -58.53 -47.67 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.688 -177.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.31 -33.04 72.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.045 0.45 . . . . 0.0 110.683 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -75.14 -45.82 38.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.593 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 95.5 mt -60.63 -41.93 95.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.616 -177.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 22' ' ' ASP . 4.6 pp -69.93 -31.56 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.981 0.419 . . . . 0.0 110.507 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 t70 -74.13 -36.28 64.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.769 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.31 -37.48 85.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.915 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.969 178.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -61.78 -37.95 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.526 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -32.25 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.143 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.16 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 0.0 110.063 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 80.7 mt -59.19 -36.27 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.37 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 37.1 mm -57.11 -49.73 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.667 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -70.84 -41.06 71.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.543 -177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.65 -29.5 69.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.9 tt -70.97 -41.64 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 59.0 mm-40 -54.53 -41.13 69.33 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.285 0.564 . . . . 0.0 109.877 174.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -62.36 -46.1 90.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.521 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 96.2 mt -60.81 -32.08 71.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.69 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 67.9 mt -65.19 -50.9 64.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 0.0 110.096 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.97 -38.96 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.946 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -53.85 -23.62 13.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.669 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.042 -178.204 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.177 0.513 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -87.49 126.15 34.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.397 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -131.12 127.1 37.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.849 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.69 13.89 56.39 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.349 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 p -73.36 -58.38 3.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.847 0.355 . . . . 0.0 111.032 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.568 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 35.1 mmtp -106.36 33.61 3.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.598 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -64.82 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.551 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -74.18 -35.89 64.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.031 0.443 . . . . 0.0 109.949 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.98 -32.11 73.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.799 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 82.0 mm-40 -63.06 -32.36 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 11' ' ' ARG . 2.4 ttt180 -69.7 -42.38 74.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.63 -33.75 65.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.998 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 16' ' ' LEU . 7.5 tt -60.48 -41.43 94.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.027 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 10' ' ' GLN . 67.6 mt -56.71 -45.05 82.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.068 0.461 . . . . 0.0 110.129 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -64.37 -46.39 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.805 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -67.01 -36.63 82.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.957 -178.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 61.3 tp -63.76 -51.79 63.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.374 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -55.26 -42.15 73.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.095 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.87 -49.97 75.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 16' ' ' LEU . 4.7 mp -56.4 -47.99 77.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 49.3 mt -65.47 -39.96 92.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.638 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.34 -41.71 84.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.822 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -68.69 -39.69 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.198 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.4 m -101.84 38.99 1.52 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.655 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -73.59 -20.31 60.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.102 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.84 151.55 39.37 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.265 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.7 -22.41 56.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.511 . . . . 0.0 110.608 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -81.04 -16.54 53.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.461 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 t 65.4 -164.57 0.24 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.174 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 12.1 p -140.42 49.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.546 1.165 . . . . 0.0 109.265 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -100.19 3.61 43.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.27 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.83 68.82 3.46 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 65.54 78.43 0.27 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.269 0.628 . . . . 0.0 109.831 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 18.1 ptpt -80.29 10.01 5.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.309 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 64.35 32.3 12.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.05 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.502 177.801 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 121.167 0.508 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.5 m-90 -97.94 151.45 20.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.308 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -78.82 67.36 4.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.792 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.63 39.21 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.918 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 p -95.92 -56.1 2.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.197 0.522 . . . . 0.0 110.738 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -71.96 -29.97 64.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.272 0.558 . . . . 0.0 109.904 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 10' ' ' GLN . 43.3 mmtm -77.26 -5.91 51.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.275 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -65.92 -52.42 50.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.23 -32.0 73.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.6 176.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 28.5 mm-40 -69.59 -25.97 64.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.013 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -68.92 -46.95 66.95 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.605 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.3 mt -66.4 -34.32 69.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.694 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.38 -37.26 67.32 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.522 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -56.68 -46.91 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.52 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -69.36 -37.75 77.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.661 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.2 mt -63.32 -46.35 87.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.061 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 tp -53.89 -54.33 40.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.955 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -55.91 -39.24 71.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.152 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -67.49 -47.7 69.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -59.29 -51.45 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.063 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 22' ' ' ASP . 4.1 pp -66.62 -33.64 76.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 111.175 -177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.499 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.6 t70 -71.15 -32.13 68.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.374 0.607 . . . . 0.0 110.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -81.17 -43.76 18.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.539 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.24 -38.47 90.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.615 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 p -64.96 -35.35 80.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.899 0.381 . . . . 0.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.17 22.67 37.22 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.679 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.93 -61.74 1.73 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.021 0.439 . . . . 0.0 110.303 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -140.89 -6.68 1.1 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.801 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 p -108.27 178.11 4.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.375 -174.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.2 p 41.07 79.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 124.393 1.058 . . . . 0.0 112.414 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 1.5 m-20 -54.92 125.57 20.82 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.552 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.05 -47.18 1.77 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.778 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -85.81 -39.84 16.65 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . 7.7 mtpm? -90.74 38.28 0.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.344 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 34.8 ttm180 -96.25 106.2 18.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.163 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.392 -0.813 . . . . 0.0 109.772 179.677 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.596 0.236 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.1 m95 53.69 59.02 4.59 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.596 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -142.22 109.29 5.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.373 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.32 114.47 2.08 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.76 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -65.06 -47.23 78.06 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.301 0.572 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -69.23 -13.69 62.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.432 -0.803 . . . . 0.0 112.204 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HD3' ' OE1' ' A' ' 10' ' ' GLN . 42.4 mmtm -55.37 -38.92 69.47 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.27 0.557 . . . . 0.0 110.515 175.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.649 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.9 tmm_? -70.14 -41.15 74.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.993 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 -40.48 66.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.698 -176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' OE1' ' HD3' ' A' ' 7' ' ' LYS . 4.5 pt20 -75.34 -27.15 59.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.258 -176.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 3.8 ptp180 -65.31 -27.14 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.634 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 46.9 mm -63.25 -30.7 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.466 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.5 -35.56 72.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.513 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.34 -44.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.96 -42.53 89.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.7 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 73.1 mt -58.53 -48.81 79.61 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 59.3 tp -54.48 -56.17 21.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.042 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.27 -35.44 73.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.437 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -69.16 -46.22 68.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.366 . . . . 0.0 110.42 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.0 mp -60.05 -41.06 91.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 59.4 mt -69.37 -41.13 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.459 . . . . 0.0 110.215 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.28 -45.66 93.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.058 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.445 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 90.0 t80 -63.27 -41.42 99.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.556 176.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -52.94 -41.58 64.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.333 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -95.02 -34.51 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.891 0.377 . . . . 0.0 111.476 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.34 74.07 0.31 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.988 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 23' ' ' PHE . 39.8 mt-10 -76.68 -21.72 55.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.002 0.429 . . . . 0.0 110.082 174.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -132.4 -66.16 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.946 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 m -84.91 155.51 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -174.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t 58.32 71.71 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.515 0.674 . . . . 0.0 110.352 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -137.23 78.96 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.43 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.77 -57.0 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 59.44 59.99 2.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 122.969 0.507 . . . . 0.0 110.654 178.29 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -74.26 107.48 6.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.281 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -139.79 116.12 10.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.076 177.207 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -72.57 118.05 15.01 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 p -89.07 126.69 35.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.333 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.96 76.17 0.22 Allowed Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 p -58.29 -53.15 61.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -113.91 -2.91 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.28 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -63.57 -33.29 75.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 5.8 mpt_? -79.92 -21.99 43.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.592 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.85 -44.8 15.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.158 0.504 . . . . 0.0 110.337 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -70.78 -21.71 62.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.618 -177.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 39.1 ptt180 -72.92 -24.14 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.784 175.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -79.0 -34.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 16' ' ' LEU . 88.2 mt -58.37 -24.7 60.65 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.978 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.419 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 69.2 mt -64.13 -46.88 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -63.6 -40.57 97.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.181 0.515 . . . . 0.0 110.165 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.0 mt -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.014 177.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.57 -49.57 77.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.788 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 29.2 mt-10 -61.28 -26.42 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.904 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -76.29 -47.83 22.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.034 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.9 mt -61.39 -38.35 86.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.2 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.1 -9.52 58.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 111.439 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -105.23 -40.53 5.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.831 173.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -65.22 -17.1 64.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.015 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p -63.3 -13.7 41.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.361 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.1 p -67.17 -17.08 64.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.228 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.2 -122.79 22.11 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.803 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -81.7 -58.32 3.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 172.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -168.18 52.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.186 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 p -121.46 163.34 18.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.267 -175.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 t -130.39 48.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 109.248 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -89.58 125.59 35.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.55 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.35 -72.76 2.49 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.667 -0.697 . . . . 0.0 113.215 172.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp 58.34 45.71 16.55 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.229 0.537 . . . . 0.0 109.73 -171.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -70.95 -34.45 71.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.679 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -118.96 90.19 3.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.273 0.558 . . . . 0.0 110.25 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.686 -179.768 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.603 0.239 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -100.78 151.18 22.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.271 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -94.71 127.77 40.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.61 19.58 15.39 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.971 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -68.7 -69.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.932 0.396 . . . . 0.0 111.161 -178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -87.74 -7.31 57.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.206 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.2 -31.6 72.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.989 0.424 . . . . 0.0 110.345 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.496 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 33.0 mmt180 -69.46 -22.79 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.493 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.56 -42.57 14.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.477 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 11.9 mm-40 -73.43 -17.09 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.405 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 33.4 ptt180 -74.31 -30.59 62.12 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.8 mt -68.58 -36.28 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.74 -36.27 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.605 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -63.38 -41.82 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.298 0.571 . . . . 0.0 109.961 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 15.9 m-85 -69.45 -37.83 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.378 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.0 mt -60.96 -44.97 96.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.607 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.54 -50.96 71.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.739 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 15' ' ' PHE . 10.8 pt-20 -62.08 -27.88 69.22 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.271 0.558 . . . . 0.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -74.9 -47.96 27.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.322 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 97.0 mt -57.58 -44.27 85.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.253 -176.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 22' ' ' ASP . 3.7 pp -64.83 -37.8 88.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.761 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.622 ' N ' HD12 ' A' ' 21' ' ' LEU . 21.8 t70 -71.93 -40.33 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -65.36 -38.46 90.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.189 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.6 t -63.28 -62.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.124 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 24' ' ' CYS . 9.0 t 172.57 -37.39 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.948 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.57 165.37 30.96 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.492 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HA ' HD13 ' A' ' 21' ' ' LEU . 46.0 mt-10 -56.03 -52.44 64.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.093 0.473 . . . . 0.0 110.921 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.25 -41.44 20.21 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t 63.79 -172.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.408 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p 32.36 74.22 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.265 1.026 . . . . 0.0 112.273 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.06 147.72 51.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.601 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.04 50.36 2.46 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.404 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -132.44 7.86 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.774 0.321 . . . . 0.0 111.081 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mtpt -85.25 -15.88 42.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.76 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -134.34 65.75 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.482 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.972 179.235 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.865 0.364 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -111.11 174.2 5.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.048 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p 49.39 84.1 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.445 0.698 . . . . 0.0 111.922 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.22 57.4 3.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.724 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -58.21 -50.27 74.14 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 122.879 0.472 . . . . 0.0 111.616 -175.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -88.83 13.65 12.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.947 0.403 . . . . 0.0 111.086 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -114.03 -54.03 2.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.626 177.239 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -71.23 -20.8 62.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.824 0.345 . . . . 0.0 111.079 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.3 -27.68 66.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.465 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -65.05 -29.37 70.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.339 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -95.04 -43.75 7.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.664 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.4 -26.41 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 16' ' ' LEU . 61.5 tp -54.38 -39.62 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.775 175.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.15 -43.21 95.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -66.67 -39.18 88.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -70.7 -35.74 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.24 -52.17 66.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.313 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.49 -43.45 89.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.863 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -58.29 -48.83 79.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.212 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 16' ' ' LEU . 6.0 mp -59.83 -47.3 86.29 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.34 -27.7 59.32 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.343 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -73.62 -38.77 64.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.059 0.456 . . . . 0.0 110.292 176.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -68.61 -35.69 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.109 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.3 t -71.04 -1.34 11.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.77 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.2 p -77.04 -26.86 54.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.188 0.518 . . . . 0.0 110.323 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.74 53.26 1.97 Allowed Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.971 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -76.41 -51.06 12.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.113 0.482 . . . . 0.0 110.818 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' H ' ' CD ' ' A' ' 27' ' ' GLU . 22.2 t70 -146.98 41.73 1.1 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -93.08 152.92 18.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.514 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.4 t -131.21 73.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -77.84 -171.1 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.918 -175.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.23 6.75 27.4 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -173.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -116.17 34.63 4.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.565 0.697 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -85.19 -49.23 8.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.985 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 56.83 67.78 0.95 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.581 0.551 . . . . 0.0 110.333 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.031 -179.28 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.914 0.387 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -61.99 -42.63 99.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.408 0.623 . . . . 0.0 110.616 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -94.32 76.32 3.94 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.441 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.57 91.22 1.58 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.959 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 p -76.16 -60.35 2.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.041 0.448 . . . . 0.0 111.399 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -69.69 -34.63 74.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.401 -174.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -66.46 -30.48 70.83 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.604 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.1 tmt_? -72.76 -44.87 61.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.8 68.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.745 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.09 -33.14 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.891 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.604 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 3.4 ptm180 -72.74 -28.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.168 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 8' ' ' ARG . 42.3 mm -61.88 -37.16 77.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 109.816 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.557 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 11.0 mp -58.65 -32.05 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.164 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.77 -49.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.997 0.427 . . . . 0.0 110.143 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -66.48 -39.15 88.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.305 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.557 ' CD2' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -68.51 -34.37 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.3 tt -68.54 -44.54 74.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -58.8 -39.84 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.725 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.57 -50.44 73.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.447 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.6 mp -56.42 -35.51 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.687 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 57.9 mt -72.32 -54.04 10.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.767 0.318 . . . . 0.0 110.522 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.62 -42.65 99.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.516 -177.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -61.56 -29.6 70.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.562 . . . . 0.0 110.512 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m -110.3 41.92 1.65 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.436 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 21' ' ' LEU . 14.1 p -94.18 -95.38 0.16 Allowed 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.336 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.27 -25.37 61.63 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.982 -174.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.21 -18.77 44.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.099 0.476 . . . . 0.0 110.864 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -92.77 -47.23 7.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.304 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 m -68.32 152.63 45.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.72 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.99 68.83 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 122.713 1.244 . . . . 0.0 109.838 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -80.26 162.59 24.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.426 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.05 60.17 4.47 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.303 -0.475 . . . . 0.0 112.893 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -74.61 -31.43 62.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.004 0.43 . . . . 0.0 110.485 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -82.46 -0.74 47.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.223 0.535 . . . . 0.0 110.281 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -85.07 145.82 27.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.151 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.425 -179.244 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.647 0.261 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -62.61 119.1 8.58 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.527 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m 60.39 44.5 12.12 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.854 0.721 . . . . 0.0 110.405 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.85 -47.97 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -54.31 31.86 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.648 0.379 . . . . 0.0 111.76 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -103.56 27.86 7.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.998 0.427 . . . . 0.0 111.168 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -118.57 26.9 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 110.386 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.624 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 3.2 tmm_? -83.39 -54.78 4.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.784 -176.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.59 -24.28 53.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.292 0.568 . . . . 0.0 110.448 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -77.43 -14.65 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.428 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 9.3 ptm180 -76.35 -27.98 56.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.44 -29.76 46.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.791 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -56.01 -37.16 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.01 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.82 -47.83 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.05 -43.65 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.499 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -69.43 -32.36 71.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.079 -178.023 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.7 tp -61.26 -53.8 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -62.47 -30.52 71.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.968 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.44 -49.55 71.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.017 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 16' ' ' LEU . 5.7 mp -59.72 -38.37 81.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.508 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 62.1 mt -64.49 -46.7 81.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.472 . . . . 0.0 110.432 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.08 -30.46 66.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.02 -28.25 67.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.063 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t -83.1 -26.05 31.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.173 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.7 p -82.73 -69.97 0.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.196 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.29 52.94 24.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.054 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -69.15 -19.14 64.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.271 -0.464 . . . . 0.0 111.425 -174.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -88.55 4.84 45.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.484 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.6 t 70.03 -165.44 0.16 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.438 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 33' ' ' LYS . 11.4 p 41.92 60.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 122.548 1.166 . . . . 0.0 111.212 -176.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.39 124.51 27.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.767 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.34 -46.39 2.0 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.299 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG2' HG22 ' A' ' 30' ' ' VAL . 58.2 mttp 59.43 58.75 2.86 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.332 0.587 . . . . 0.0 110.135 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -71.87 115.13 10.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.318 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -142.41 27.12 1.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.746 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.474 -179.719 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.85 0.357 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -169.71 -54.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 109.211 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -116.79 71.02 0.78 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.774 172.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.56 126.79 5.58 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 -171.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 p -55.2 -66.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.801 0.334 . . . . 0.0 111.358 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 51.6 mtmt -108.18 -14.36 14.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.913 0.387 . . . . 0.0 110.274 175.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.63 -31.97 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.965 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.602 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 3.5 tmt_? -65.0 -31.55 72.84 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.96 -33.42 57.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.121 0.486 . . . . 0.0 110.185 176.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 6.6 mm-40 -72.58 -24.57 61.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.119 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.5 ptm180 -77.12 -20.38 55.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.971 0.415 . . . . 0.0 110.048 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 50.9 mm -68.69 -30.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 92.4 mt -59.35 -29.23 67.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.91 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 43.4 mm -60.86 -48.49 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.111 0.481 . . . . 0.0 110.386 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -64.3 -43.84 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.066 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 40.4 mt -61.15 -44.42 97.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.133 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 3.3 tt -60.8 -41.93 96.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.415 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 50.1 mt-10 -62.71 -23.55 67.21 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.12 0.486 . . . . 0.0 110.87 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -83.99 -46.91 11.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.023 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 91.8 mt -59.35 -39.48 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.877 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 22' ' ' ASP . 4.6 pp -66.32 -31.19 71.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.705 0.288 . . . . 0.0 110.569 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.51 ' HA ' ' CA ' ' A' ' 26' ' ' GLY . 25.5 t70 -80.84 -35.14 33.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.068 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.02 -47.33 80.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.58 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.5 t -66.12 -60.08 3.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.578 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.5 p -116.39 -78.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.884 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' ' 22' ' ' ASP . . . 168.71 150.32 6.61 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.18 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -90.92 -26.16 19.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.127 0.489 . . . . 0.0 109.893 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.5 -25.27 25.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.517 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 p -158.44 150.47 21.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.375 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.1 t -129.52 75.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.375 0.607 . . . . 0.0 109.514 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -126.27 -174.9 3.23 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.518 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.469 ' HA2' ' HG3' ' A' ' 36' ' ' GLN . . . -111.59 24.62 14.96 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.903 -178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -64.15 -39.82 94.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.091 0.472 . . . . 0.0 109.765 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HG3' ' H ' ' A' ' 35' ' ' ARG . 18.3 ptmt -80.08 -62.09 1.79 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.58 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 15.3 tpt180 178.42 131.95 0.07 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.71 0.291 . . . . 0.0 110.962 178.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 35.1 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.582 170.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 121.099 0.476 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -133.0 106.74 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.249 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 m -80.49 68.01 6.53 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.682 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 7' ' ' LYS . . . -84.3 52.37 4.7 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.277 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -79.64 -51.1 9.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.871 0.367 . . . . 0.0 111.117 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -112.67 8.16 18.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' CG ' ' HA2' ' A' ' 4' ' ' GLY . 31.6 mmmt -66.1 -26.49 67.49 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.669 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -104.78 -21.31 13.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.857 0.36 . . . . 0.0 110.036 174.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 13' ' ' LEU . . . -71.07 -31.69 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.771 177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' HG12 ' A' ' 14' ' ' ILE . 4.6 pp0? -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.393 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 18.1 ptt180 -71.36 -33.49 69.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' CD2' ' A' ' 15' ' ' PHE . 60.9 mt -69.56 -34.68 62.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.534 177.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 73.8 mt -62.03 -35.79 79.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.229 175.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 45.1 mm -66.53 -39.21 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.59 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 12' ' ' ILE . 16.0 m-30 -63.65 -43.76 95.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.35 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.93 -31.79 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.288 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.52 -47.59 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.511 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 44.4 mt-10 -63.03 -36.8 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.57 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -58.85 -42.6 89.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.958 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 84.8 mt -66.44 -23.72 66.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.6 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.47 -43.42 63.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 109.548 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.82 -40.45 79.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.324 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.62 -27.04 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t -61.34 -31.92 71.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.571 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -140.66 -89.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 178.634 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' H ' HG23 ' A' ' 25' ' ' THR . . . 66.15 30.26 76.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.71 174.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.88 -12.33 27.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.692 0.758 . . . . 0.0 109.167 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.588 ' O ' ' HB2' ' A' ' 29' ' ' SER . 20.7 t70 -137.16 -60.61 0.67 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.196 175.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.588 ' HB2' ' O ' ' A' ' 28' ' ' ASP . 7.0 t 162.88 -170.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 O-C-N 124.345 1.028 . . . . 0.0 108.592 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.89 69.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 t70 60.29 75.77 0.39 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.096 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.71 -65.25 4.11 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -176.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -154.68 -54.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -139.44 126.06 20.58 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -85.53 63.01 7.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.324 0.583 . . . . 0.0 109.774 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.891 -177.637 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.62 0.248 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -89.78 155.99 18.81 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -57.89 101.69 0.08 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.576 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.36 -62.2 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.133 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p -76.73 -57.45 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.037 0.446 . . . . 0.0 110.572 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -97.24 38.18 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.254 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -62.99 -20.93 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.436 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -69.95 -55.17 10.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.63 94.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.154 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -24.46 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.752 0.31 . . . . 0.0 111.369 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -86.94 -42.84 12.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 120.792 0.33 . . . . 0.0 110.487 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -65.73 -30.76 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.937 0.398 . . . . 0.0 110.083 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 58.4 tp -54.85 -38.14 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.925 176.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.507 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 66.2 mt -59.78 -49.73 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.268 0.556 . . . . 0.0 110.3 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -70.93 -38.48 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.442 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -67.14 -31.61 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.461 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.26 -44.01 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 45.5 mt-10 -62.79 -31.18 72.1 Favored 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.695 177.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.26 -46.32 83.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.275 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.1 mm? -65.11 -32.66 74.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.075 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.7 mt -75.88 -38.46 57.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' O ' ' HB ' ' A' ' 25' ' ' THR . 22.8 t70 -71.94 -43.24 65.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.183 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -67.34 -46.57 73.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.013 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.1 46.28 1.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.877 176.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -68.72 -20.19 64.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.263 -175.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.33 120.96 4.05 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.387 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.18 -22.48 60.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.283 0.563 . . . . 0.0 109.854 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.98 -14.04 60.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.461 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -94.49 -173.29 3.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.887 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.38 84.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.854 0.835 . . . . 0.0 110.406 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.02 111.75 1.61 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.931 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.47 100.14 0.14 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.576 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 59.81 65.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.3 0.572 . . . . 0.0 111.329 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -81.42 -40.56 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.598 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -95.8 97.84 9.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.972 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.23 -178.218 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 43.1 t-105 -107.15 138.73 42.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t 59.22 38.82 23.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.154 0.502 . . . . 0.0 110.642 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.08 64.79 0.27 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.505 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -69.67 -76.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.936 0.398 . . . . 0.0 110.636 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -123.02 -10.25 8.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.455 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -67.29 -37.29 83.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.438 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.553 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.4 tmm_? -74.68 -32.11 62.11 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.46 -48.62 60.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.741 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -65.94 -31.77 72.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.463 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.1 ptm85 -72.33 -34.02 67.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.434 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 8' ' ' ARG . 42.8 mm -79.68 -29.83 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.054 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm? -52.18 -41.37 62.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.726 175.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 66.0 mt -56.29 -47.65 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.839 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -74.5 -36.98 63.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.473 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -68.89 -29.83 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 54.1 tp -65.28 -46.72 79.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 110.055 173.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 13.4 mm-40 -53.42 -36.14 61.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.418 174.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 79.7 t80 -60.97 -50.08 74.85 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.481 176.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.3 mm? -57.99 -42.67 85.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.928 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 52.8 mt -63.86 -44.78 92.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.24 -37.05 77.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.173 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -69.25 -36.9 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.466 . . . . 0.0 110.304 177.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m -95.07 36.86 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.71 -33.17 74.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.474 175.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.34 141.98 16.6 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 172.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.4 -39.49 89.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.735 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -121.76 -51.07 2.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 172.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -147.15 160.51 42.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.325 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 43.6 t -95.0 68.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 20.7 t70 79.18 -29.12 0.15 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.05 -1.432 . . . . 0.0 110.729 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.5 -50.98 1.12 Allowed Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.516 -0.633 . . . . 0.0 111.516 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 61.4 18.81 9.67 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.154 0.581 . . . . 0.0 111.204 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -124.65 -55.01 1.64 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.038 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -163.15 178.46 8.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.124 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 . . . . . 0 C--O 1.245 0.864 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.316 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.702 0.287 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -109.48 -31.69 7.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.195 0.521 . . . . 0.0 110.442 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -109.88 48.92 0.86 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.499 0.666 . . . . 0.0 110.371 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.7 42.25 2.23 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.074 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -50.84 72.12 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.946 0.403 . . . . 0.0 110.978 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -70.73 -38.47 73.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.119 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -59.63 -46.11 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.44 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.651 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 43.9 ttt180 -64.79 -45.8 84.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 176.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -42.36 76.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.399 . . . . 0.0 111.404 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.488 ' O ' HG13 ' A' ' 14' ' ' ILE . 14.2 mm100 -73.12 -31.95 64.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.683 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 4.8 ptp180 -72.78 -30.4 64.08 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.685 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 8' ' ' ARG . 49.9 mm -66.67 -38.7 82.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.1 tp -60.08 -40.36 89.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 175.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 10' ' ' GLN . 66.8 mt -59.86 -49.4 84.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.949 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -61.13 -46.13 91.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.902 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -65.67 -32.63 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.308 -177.552 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.0 tp -71.2 -53.87 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.537 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.66 -40.39 59.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -55.69 -47.43 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? -73.06 -37.79 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.518 -177.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 65.4 mt -62.18 -43.31 99.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.306 0.574 . . . . 0.0 109.993 178.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.6 -36.47 78.74 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.638 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -68.06 -38.07 82.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m -91.08 41.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.144 0.497 . . . . 0.0 111.319 -176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -85.86 -41.32 15.09 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.576 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.9 157.92 15.44 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.824 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.76 -30.58 70.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.058 0.456 . . . . 0.0 110.597 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -140.61 63.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.521 0.676 . . . . 0.0 109.954 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.6 m -70.34 156.13 39.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.643 174.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 t -113.7 59.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.451 0.643 . . . . 0.0 109.961 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -96.17 90.56 5.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.81 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.9 63.5 0.75 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.449 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -93.36 -16.5 24.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.688 0.28 . . . . 0.0 111.654 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -104.49 147.24 27.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.623 0.249 . . . . 0.0 110.743 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 58.75 74.59 0.43 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.58 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.547 ' H ' ' NE2' ' A' ' 36' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.288 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.885 0.374 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -120.27 -46.92 2.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.044 0.45 . . . . 0.0 110.825 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -79.68 -49.75 11.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.534 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.96 52.96 3.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.73 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -68.49 -48.31 64.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.999 0.428 . . . . 0.0 111.41 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.51 -31.33 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.017 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -64.34 -35.56 81.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.09 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.634 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 2.8 tmm_? -73.91 -34.02 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.565 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.39 77.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -72.55 -27.09 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.333 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.2 ptm180 -75.51 -20.34 58.8 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.204 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 8' ' ' ARG . 71.7 mt -69.99 -32.62 52.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 7.3 tt -58.13 -36.22 72.63 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.63 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -56.36 -48.77 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -68.73 -38.3 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.333 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -70.47 -33.93 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.068 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.7 -53.42 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.325 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.01 -32.6 66.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.711 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -67.97 -53.33 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.41 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 16' ' ' LEU . 6.3 mp -57.38 -50.18 73.8 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.37 -16.18 63.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -98.89 -45.14 6.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.018 0.437 . . . . 0.0 110.768 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -66.85 -35.91 81.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t -93.21 18.11 10.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.514 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.9 p -66.03 -37.88 87.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.314 0.578 . . . . 0.0 109.832 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.65 74.6 1.93 Allowed Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.109 174.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.22 -5.7 24.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.286 0.565 . . . . 0.0 111.36 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.87 -28.9 70.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.477 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.8 m -124.7 -161.05 0.98 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.622 177.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t 67.63 97.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.441 0.638 . . . . 0.0 111.587 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.79 13.75 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.703 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.26 -19.08 78.5 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.947 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt 71.9 97.33 0.07 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.575 0.702 . . . . 0.0 110.95 176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -51.89 -37.01 50.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.524 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -90.13 95.2 10.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.077 0.465 . . . . 0.0 110.448 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.976 176.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 58.68 26.91 15.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.476 0.655 . . . . 0.0 110.604 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p -159.47 99.32 1.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.02 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.92 -14.39 13.83 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.218 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 p -105.65 -64.97 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.969 0.385 . . . . 0.0 111.393 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -83.88 15.1 3.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.968 0.413 . . . . 0.0 111.508 -174.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -2.9 19.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.239 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 4.7 mpt_? -88.72 -23.92 22.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.979 0.418 . . . . 0.0 109.974 176.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.45 -37.91 50.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -63.17 -30.63 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 9.1 ptm180 -72.13 -26.37 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.133 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.667 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 71.0 mt -67.28 -41.18 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.579 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.96 -31.99 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.842 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 61.7 mt -61.18 -49.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -60.68 -44.88 95.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 58.5 mt -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.498 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 53.1 tp -55.37 -53.52 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.193 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 10.1 mm-40 -55.67 -42.46 75.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -67.44 -45.08 77.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.973 0.416 . . . . 0.0 110.566 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 16' ' ' LEU . 4.9 mp -59.22 -41.16 87.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.438 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 63.6 mt -62.83 -41.11 99.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.31 0.576 . . . . 0.0 110.25 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' O ' HG22 ' A' ' 25' ' ' THR . 32.4 t70 -66.22 -46.62 76.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.207 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -74.05 -29.28 61.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.377 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.63 -29.88 70.94 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.042 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 22' ' ' ASP . 6.5 t -66.23 -22.65 66.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 110.619 -177.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.47 173.3 49.57 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.831 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -90.6 -58.44 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.28 -20.61 54.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.364 172.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.4 t 66.18 -160.21 0.26 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.331 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.7 m -89.51 2.79 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.393 0.616 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.87 -60.95 1.58 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.244 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.86 6.09 62.79 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.396 -0.82 . . . . 0.0 113.814 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -107.84 21.04 17.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.207 0.504 . . . . 0.0 110.773 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -64.24 113.45 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.413 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 61.79 28.44 17.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.816 -177.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.77 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.987 0.422 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -119.4 86.2 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.898 0.38 . . . . 0.0 110.369 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 m 61.27 43.53 10.72 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.617 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.36 21.45 9.27 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.491 -0.861 . . . . 0.0 113.367 -174.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -67.43 -52.59 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.926 0.393 . . . . 0.0 110.816 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -80.42 2.71 23.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.241 0.543 . . . . 0.0 110.425 177.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -105.71 10.91 32.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.529 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.677 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 3.5 tmm_? -71.76 -43.71 65.31 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.01 65.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.244 0.545 . . . . 0.0 110.228 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.64 ' O ' HG12 ' A' ' 14' ' ' ILE . 15.7 mm100 -63.47 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 13.2 ptm180 -64.96 -35.16 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.018 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.628 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.6 mm -69.13 -42.64 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.3 tp -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.955 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.64 HG12 ' O ' ' A' ' 10' ' ' GLN . 42.7 mm -58.32 -44.61 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.984 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -69.49 -36.86 76.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.213 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 12' ' ' ILE . 59.5 mt -67.34 -50.89 58.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.971 176.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 21' ' ' LEU . 4.3 tt -58.53 -47.67 83.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.688 -177.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.31 -33.04 72.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.045 0.45 . . . . 0.0 110.683 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -75.14 -45.82 38.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.593 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 95.5 mt -60.63 -41.93 95.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.616 -177.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 22' ' ' ASP . 4.6 pp -69.93 -31.56 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.981 0.419 . . . . 0.0 110.507 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 21' ' ' LEU . 16.3 t70 -74.13 -36.28 64.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.769 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.31 -37.48 85.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.915 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -71.22 -66.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.969 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.4 p -101.88 -61.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.784 0.326 . . . . 0.0 111.078 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.89 129.01 4.4 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -112.18 -46.46 3.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -134.71 2.15 3.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.918 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 m 69.57 177.99 0.26 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.113 -177.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -109.98 34.19 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 122.268 1.033 . . . . 0.0 109.73 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.23 -9.35 59.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.333 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.01 -3.13 50.78 Favored Glycine 0 C--N 1.333 0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.007 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttp 67.94 31.91 5.39 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.164 0.585 . . . . 0.0 111.987 173.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -98.38 50.32 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 171.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -89.05 -28.74 19.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.12 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 36' ' ' GLN . 12.2 mm-40 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.917 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -145.48 55.83 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 0.0 110.638 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 t -147.4 21.36 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.36 0.6 . . . . 0.0 110.334 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.38 54.64 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 p -58.02 -53.27 60.12 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -174.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.57 -46.09 80.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.644 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -59.62 -46.82 87.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.313 -176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.538 ' O ' HG13 ' A' ' 12' ' ' ILE . 6.9 tpp180 -62.74 -43.21 99.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.62 89.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -61.78 -37.95 86.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.526 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -70.1 -32.25 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.143 -178.262 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 8' ' ' ARG . 79.9 mt -64.16 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 0.0 110.063 177.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 80.7 mt -59.19 -36.27 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.37 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 37.1 mm -57.11 -49.73 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.667 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -70.84 -41.06 71.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.543 -177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.65 -29.5 69.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.9 tt -70.97 -41.64 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 59.0 mm-40 -54.53 -41.13 69.33 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.285 0.564 . . . . 0.0 109.877 174.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -62.36 -46.1 90.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.521 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 16' ' ' LEU . 96.2 mt -60.81 -32.08 71.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.69 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 67.9 mt -65.19 -50.9 64.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 0.0 110.096 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.97 -38.96 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.946 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -53.85 -23.62 13.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.669 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t -65.96 -25.43 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.042 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -160.76 -44.28 0.04 OUTLIER 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.623 -179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.31 167.47 39.76 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.384 178.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.72 -37.55 87.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -128.51 -62.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.126 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 19.8 m -155.2 151.53 28.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.628 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 30' ' ' VAL . 4.8 t -113.8 12.98 8.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.836 0.827 . . . . 0.0 109.936 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -89.22 -6.28 56.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.181 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.58 -5.04 14.79 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.985 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.529 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 6.7 mmpt? -92.86 23.08 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 111.251 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 29' ' ' SER . 14.4 ptmm? -76.71 125.77 29.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -95.03 -20.59 19.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.902 -172.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.63 -0.7 . . . . 0.0 109.934 179.44 . . . . . . . . 0 0 . 1 stop_ save_