data_1p5l_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 1p5l _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.197 0 N-CA-C 111.438 0.162 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.4 t -56.61 -18.4 6.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.41 -32.04 0.29 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.119 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -49.21 78.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.085 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -62.11 -40.47 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.19 -42.88 93.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.508 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.99 68.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.66 73.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.23 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.774 179.69 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.39 -18.05 7.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -40.96 -32.06 0.21 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.301 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -51.15 69.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.967 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.1 -44.29 89.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.426 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.11 -28.57 69.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.095 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -38.0 75.54 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 179.686 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.412 0.149 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.8 -19.46 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.54 -31.48 0.45 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.995 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.79 -46.2 89.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.174 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.37 97.27 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.91 -41.82 95.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.398 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -27.68 69.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.923 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -70.06 -43.94 70.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.203 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.73 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -55.19 -18.58 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.54 -31.92 0.31 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.017 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -58.89 -48.84 80.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.104 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -63.31 -38.28 90.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.66 -43.45 93.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.215 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.57 -27.56 64.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.206 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -46.26 68.93 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.254 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.731 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 111.46 0.171 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.39 -18.89 7.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.27 -32.8 0.32 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.206 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -49.24 78.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.986 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -38.21 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.63 -45.96 84.6 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.395 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.62 -29.0 69.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.129 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -34.54 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.031 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.664 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.206 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.48 -18.53 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -43.17 -31.37 0.57 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.161 -1.381 . . . . 0.0 110.983 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -49.64 76.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.221 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.52 -39.71 94.41 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.95 -41.78 90.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.39 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.91 -27.48 68.85 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.057 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -44.56 72.73 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.707 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 tptm . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.12 -18.99 6.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -41.51 -31.79 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.195 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.77 80.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.33 -41.34 94.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.427 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -28.78 70.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.047 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -70.1 -45.01 67.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.219 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.876 179.612 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.396 0.141 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.7 -18.18 6.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.35 -32.12 0.29 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.244 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -60.79 -49.13 78.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.002 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -39.24 92.4 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.82 -45.45 86.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.447 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.61 -28.11 69.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.065 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -37.29 75.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.16 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.691 179.614 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 111.359 0.133 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.92 -19.14 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -42.17 -32.18 0.45 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.933 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.57 86.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.115 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.53 -40.15 88.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.557 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -27.2 68.8 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -50.94 35.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.106 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.899 179.506 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tttt . . . . . 0 CA--C 1.52 -0.204 0 N-CA-C 111.409 0.151 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.65 -19.08 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.11 -32.05 0.43 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.218 -1.355 . . . . 0.0 111.14 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -47.34 86.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.53 -42.3 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.82 -44.01 91.26 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.388 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -27.71 69.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -70.1 -39.93 75.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.248 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 179.68 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.379 0.14 . . . . 0.0 111.379 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -55.55 -19.41 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 3' ' ' LYS . 7.5 t -42.09 -31.84 0.4 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.035 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -59.91 -47.75 84.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.199 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -61.61 -41.87 98.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.11 -43.24 92.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.411 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.76 -27.1 69.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.129 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.99 -39.03 76.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.67 179.555 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.161 0 N-CA-C 111.335 0.124 . . . . 0.0 111.335 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.17 -19.1 6.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.56 -31.89 0.31 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.246 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -48.37 81.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.11 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -62.89 -39.58 94.91 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -42.31 84.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.545 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -26.81 68.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -70.16 -49.59 48.96 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.662 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.431 0.158 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 t -56.14 -19.15 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.76 -31.36 0.3 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.163 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -61.37 -50.01 74.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.075 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -63.48 -38.88 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.18 -41.09 90.75 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.377 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -27.5 69.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.141 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.7 74.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.313 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.663 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.44 -18.65 6.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -41.85 -31.34 0.31 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.209 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.28 -49.17 78.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.091 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.7 -40.02 95.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.42 -40.94 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.302 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.83 -26.94 68.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.193 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.24 81.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.36 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.767 179.755 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 tttt . . . . . 0 CA--C 1.52 -0.202 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.12 -18.52 8.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -42.35 -31.68 0.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.122 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.46 -47.23 87.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.998 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -44.16 96.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.69 -44.71 92.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.432 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.96 -26.86 68.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.843 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -38.4 75.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.096 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.741 179.596 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.438 0.161 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.92 -19.38 6.85 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -42.05 -31.8 0.39 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.059 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -60.34 -48.7 80.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.055 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -62.6 -40.23 96.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.25 -42.83 92.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.427 178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.61 -27.41 69.18 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.129 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -70.14 -39.93 75.09 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.711 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 111.351 0.13 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.86 -19.46 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -42.92 -31.71 0.54 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.957 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -45.34 91.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.129 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -61.23 -44.91 96.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.7 -26.87 68.86 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.025 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.41 -39.21 78.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.283 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.644 179.621 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.389 0.137 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -41.88 -31.56 0.34 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.205 -1.362 . . . . 0.0 111.065 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.23 -49.28 78.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.077 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -61.41 -40.99 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.92 -43.81 91.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.408 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -27.5 68.7 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.086 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -43.83 70.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.264 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.749 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.01 -17.97 6.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -40.58 -32.08 0.19 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.366 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.86 -52.08 65.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.932 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -37.12 85.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -65.12 -43.78 90.87 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.39 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -27.19 68.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.069 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.23 75.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.801 179.661 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.448 0.166 . . . . 0.0 111.372 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.07 -19.63 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 3' ' ' LYS . 6.8 t -44.88 -31.13 1.14 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.722 178.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -58.66 -40.58 83.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -50.35 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.701 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -41.14 97.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -28.68 70.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.783 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -36.95 82.75 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.234 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.696 179.696 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -99.98 30.8 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 12.79 29.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.438 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.4 t -56.61 -18.4 6.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.41 -32.04 0.29 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.119 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -49.21 78.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.085 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -62.11 -40.47 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.19 -42.88 93.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.508 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.99 68.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.66 73.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.23 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tp -70.2 -34.2 72.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.774 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -15.35 56.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.315 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -32.94 66.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -44.94 91.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 mm -71.88 -30.74 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.48 -47.7 84.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -87.07 55.95 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.21 29.82 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.091 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -83.92 141.42 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.39 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.343 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.814 0.34 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 22.21 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.1 13.04 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.422 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.39 -18.05 7.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -40.96 -32.06 0.21 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.301 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -51.15 69.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.967 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.1 -44.29 89.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.426 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.11 -28.57 69.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.095 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -38.0 75.54 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.13 -37.6 75.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -41.08 91.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.724 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -32.6 72.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.451 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -30.98 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.4 mt -72.7 -27.88 26.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.953 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -96.67 32.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -82.37 -170.99 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.1 43.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -86.85 155.05 20.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 39.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.52 17.49 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.35 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.8 -19.46 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.54 -31.48 0.45 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.995 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.79 -46.2 89.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.174 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.37 97.27 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.91 -41.82 95.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.398 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -27.68 69.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.923 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -70.06 -43.94 70.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.203 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -32.04 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.73 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.35 -30.72 71.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -58.34 -35.18 71.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -30.82 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.2 -41.27 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 59.21 48.71 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -59.89 146.62 41.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.79 45.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.11 -59.73 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.385 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.824 0.345 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.12 54.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.2 11.62 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.577 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -55.19 -18.58 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.54 -31.92 0.31 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.017 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -58.89 -48.84 80.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.104 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -63.31 -38.28 90.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.66 -43.45 93.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.215 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.57 -27.56 64.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.206 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -46.26 68.93 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.254 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -30.61 67.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.731 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -21.73 61.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -29.15 59.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.85 0.357 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -64.25 -40.04 95.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.2 mm -70.02 -35.23 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -75.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -82.18 142.09 32.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.05 38.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.03 99.11 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.815 0.34 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -98.12 29.51 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.35 17.18 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.46 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.39 -18.89 7.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.27 -32.8 0.32 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.206 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -49.24 78.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.986 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -38.21 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.63 -45.96 84.6 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.395 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.62 -29.0 69.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.129 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -34.54 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.031 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -42.56 72.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.664 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.07 -32.23 73.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.713 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 t -61.05 -31.39 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.19 -38.13 87.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.779 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 mm -71.67 -29.06 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -101.84 32.39 3.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.97 115.81 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.17 24.84 4.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -95.11 -54.07 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -98.94 29.48 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER 47.68 24.31 0.53 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.854 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.48 -18.53 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -43.17 -31.37 0.57 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.161 -1.381 . . . . 0.0 110.983 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -49.64 76.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.221 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.52 -39.71 94.41 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.95 -41.78 90.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.39 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.91 -27.48 68.85 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.057 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -44.56 72.73 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.31 -34.46 72.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.707 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.12 3.57 38.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.496 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -59.16 -34.07 71.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -46.26 91.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mm -71.3 -32.21 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.27 -69.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.58 109.19 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.22 31.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -76.83 175.01 9.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.355 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.821 0.343 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -99.94 31.4 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -115.03 12.58 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.505 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.12 -18.99 6.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -41.51 -31.79 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.195 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.77 80.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.33 -41.34 94.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.427 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -28.78 70.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.047 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -70.1 -45.01 67.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.219 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.28 -27.4 64.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.876 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -41.74 92.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.78 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -60.89 -31.36 70.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -30.62 68.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.553 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.1 mt -76.52 -36.52 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 57.89 21.43 7.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -95.13 139.68 31.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.351 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -95.17 29.34 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -95.02 -51.62 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.829 0.347 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -98.85 26.55 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.43 14.39 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.303 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.7 -18.18 6.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.35 -32.12 0.29 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.244 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -60.79 -49.13 78.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.002 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -39.24 92.4 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.82 -45.45 86.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.447 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.61 -28.11 69.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.065 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -37.29 75.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.16 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.2 -39.88 74.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.691 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -35.89 81.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -60.49 -28.93 68.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.72 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.53 -34.15 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.686 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.7 mt -74.69 -36.78 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 60.23 20.5 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.223 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.09 104.0 15.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -95.13 26.93 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -94.99 119.55 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.41 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.804 0.335 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.97 33.97 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 17.92 9.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.359 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.92 -19.14 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -42.17 -32.18 0.45 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.933 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.57 86.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.115 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.53 -40.15 88.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.557 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -27.2 68.8 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -50.94 35.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.106 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.35 -21.89 62.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.899 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -65.65 -39.49 91.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.786 0.327 . . . . 0.0 110.835 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -58.33 -31.52 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.724 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -30.94 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.4 mt -74.84 -30.26 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.36 -40.78 93.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -60.54 -63.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -95.15 43.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.9 117.32 18.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 27.14 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -145.03 16.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.65 -19.08 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.11 -32.05 0.43 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.218 -1.355 . . . . 0.0 111.14 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -47.34 86.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.53 -42.3 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.82 -44.01 91.26 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.388 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -27.71 69.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -70.1 -39.93 75.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.248 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.15 -36.53 74.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.96 -35.66 78.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -59.54 -39.88 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.719 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -64.39 -40.33 95.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mm -76.05 -29.85 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -27.49 67.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -93.72 45.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.15 25.65 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -95.05 -53.22 3.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.835 0.35 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 -3.5 35.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.379 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -142.04 15.98 2.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.379 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -55.55 -19.41 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 3' ' ' LYS . 7.5 t -42.09 -31.84 0.4 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.035 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -59.91 -47.75 84.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.199 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -61.61 -41.87 98.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.11 -43.24 92.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.411 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.76 -27.1 69.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.129 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.99 -39.03 76.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.16 -38.79 75.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.67 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -29.71 70.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -29.97 62.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -33.01 74.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.773 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.0 mt -72.85 -33.0 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -108.51 30.86 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.23 105.45 3.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.16 31.23 1.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -54.06 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.931 0.396 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.62 29.85 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.12 14.93 24.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.335 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.17 -19.1 6.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.56 -31.89 0.31 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.246 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -48.37 81.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.11 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -62.89 -39.58 94.91 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -42.31 84.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.545 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -26.81 68.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -70.16 -49.59 48.96 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.45 -24.29 62.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -42.11 63.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -58.35 -35.63 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.708 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -41.68 85.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mm -77.29 -16.9 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.351 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 70.74 92.49 0.08 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -57.24 92.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.056 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.15 28.13 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -169.88 2.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.812 0.339 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 25.44 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.04 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -115.17 15.55 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.199 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 t -56.14 -19.15 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.76 -31.36 0.3 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.163 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -61.37 -50.01 74.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.075 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -63.48 -38.88 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.18 -41.09 90.75 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.377 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -27.5 69.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.141 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.7 74.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.313 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.21 -31.44 68.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -27.6 67.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -57.31 -32.04 66.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -68.84 -31.02 69.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 20.3 mt -81.37 -24.29 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.25 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 1.8 pm0 43.93 33.95 0.84 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.532 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.6 -2.99 53.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.446 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -95.18 29.65 2.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.669 0.271 . . . . 0.0 111.247 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -95.08 45.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.992 0.425 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.809 0.337 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.08 46.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.5 13.18 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.41 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.44 -18.65 6.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -41.85 -31.34 0.31 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.209 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.28 -49.17 78.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.091 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.7 -40.02 95.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.42 -40.94 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.302 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.83 -26.94 68.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.193 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.24 81.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.36 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.15 -38.21 75.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.767 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -34.73 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -59.79 -35.52 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -67.47 -31.46 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -79.68 -30.72 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -88.08 -33.54 18.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -62.11 174.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -95.2 33.93 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.015 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -91.85 106.98 18.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 25.71 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -147.55 18.19 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.396 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.12 -18.52 8.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -42.35 -31.68 0.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.122 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.46 -47.23 87.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.998 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -44.16 96.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.69 -44.71 92.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.432 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.96 -26.86 68.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.843 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -38.4 75.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.096 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.17 -40.38 74.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.741 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -65.14 -44.87 87.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.769 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.4 p -57.86 -31.12 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.628 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.84 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.657 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mt -73.84 -31.0 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.007 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -101.71 31.15 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -88.53 160.03 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -95.14 41.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 44.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -94.42 18.21 11.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -144.06 16.93 1.74 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.132 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.92 -19.38 6.85 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -42.05 -31.8 0.39 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.059 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -60.34 -48.7 80.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.055 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -62.6 -40.23 96.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.25 -42.83 92.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.427 178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.61 -27.41 69.18 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.129 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -70.14 -39.93 75.09 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -35.6 73.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.711 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -31.58 71.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -59.93 -40.48 89.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.768 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -62.62 -32.38 73.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.623 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 mm -72.21 -32.1 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.2 -64.72 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -71.2 93.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.01 44.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -91.94 109.66 21.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.87 30.88 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 18.24 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.351 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.86 -19.46 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -42.92 -31.71 0.54 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.957 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -45.34 91.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.129 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -61.23 -44.91 96.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.7 -26.87 68.86 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.025 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.41 -39.21 78.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.283 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.18 -38.84 75.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.644 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -31.39 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -59.74 -33.78 72.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -66.13 -38.51 88.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.748 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.486 HG21 HD13 ' A' ' 15' ' ' ILE . 30.2 mt -75.39 -27.84 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -92.06 50.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -83.52 58.49 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -95.12 30.53 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -65.78 93.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.366 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.805 0.336 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.92 31.46 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -116.15 17.28 15.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.292 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -41.88 -31.56 0.34 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.205 -1.362 . . . . 0.0 111.065 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.23 -49.28 78.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.077 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -61.41 -40.99 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.92 -43.81 91.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.408 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -27.5 68.7 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.086 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -43.83 70.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.264 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -30.94 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.749 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.15 -35.65 80.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.3 t -59.69 -37.77 79.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -32.16 73.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.3 mt -79.77 -31.38 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -100.68 28.6 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.024 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -95.03 121.91 37.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -95.22 26.33 3.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -95.03 142.43 27.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.922 0.391 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.46 -8.2 53.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.356 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 11.49 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.431 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.01 -17.97 6.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -40.58 -32.08 0.19 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.366 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.86 -52.08 65.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.932 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -37.12 85.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -65.12 -43.78 90.87 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.39 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -27.19 68.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.069 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.23 75.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.11 -39.54 75.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.801 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -31.9 69.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 t -60.38 -30.45 69.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -66.38 -36.51 83.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.7 mt -72.84 -30.17 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -89.57 -66.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -84.22 -169.12 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.12 29.25 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -32.27 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.359 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.9 0.381 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.79 36.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -116.92 21.6 13.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.372 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.07 -19.63 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 3' ' ' LYS . 6.8 t -44.88 -31.13 1.14 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.722 178.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -58.66 -40.58 83.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -50.35 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.701 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -41.14 97.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -28.68 70.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.783 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -36.95 82.75 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.234 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tp -70.13 -42.54 72.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.696 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -73.46 -38.25 65.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 p -55.83 -30.44 61.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.856 0.36 . . . . 0.0 110.72 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -63.44 -38.9 92.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.655 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.7 mm -75.77 -12.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.529 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.32 -76.69 0.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.0 111.368 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -71.33 -37.56 71.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.08 49.5 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.029 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -78.23 -50.09 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.366 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.197 0 N-CA-C 111.438 0.162 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.4 t -56.61 -18.4 6.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.41 -32.04 0.29 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.119 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -49.21 78.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.085 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -62.11 -40.47 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.19 -42.88 93.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.508 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.99 68.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.66 73.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.23 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.774 179.69 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.39 -18.05 7.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -40.96 -32.06 0.21 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.301 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -51.15 69.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.967 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.7 mp -65.1 -44.29 89.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.426 178.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.11 -28.57 69.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.095 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -38.0 75.54 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 8' ' ' LEU . 9.0 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.412 0.149 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.8 -19.46 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.54 -31.48 0.45 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.995 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.79 -46.2 89.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.174 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.37 97.27 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.91 -41.82 95.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.398 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -27.68 69.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.923 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -70.06 -43.94 70.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.203 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.73 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -55.19 -18.58 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.54 -31.92 0.31 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.017 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -58.89 -48.84 80.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.104 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -63.31 -38.28 90.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.66 -43.45 93.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.215 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.57 -27.56 64.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.206 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -46.26 68.93 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.254 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.731 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 111.46 0.171 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.39 -18.89 7.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.27 -32.8 0.32 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.206 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -49.24 78.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.986 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -38.21 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 8' ' ' LEU . 9.6 mt -64.63 -45.96 84.6 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.395 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.62 -29.0 69.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.129 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -34.54 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.031 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.664 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.206 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.48 -18.53 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -43.17 -31.37 0.57 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.161 -1.381 . . . . 0.0 110.983 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -49.64 76.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.221 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.52 -39.71 94.41 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.95 -41.78 90.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.39 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.91 -27.48 68.85 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.057 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -44.56 72.73 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.707 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 tptm . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.12 -18.99 6.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -41.51 -31.79 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.195 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.77 80.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.33 -41.34 94.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.427 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -28.78 70.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.047 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -70.1 -45.01 67.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.219 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.876 179.612 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.396 0.141 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.7 -18.18 6.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.35 -32.12 0.29 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.244 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -60.79 -49.13 78.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.002 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -39.24 92.4 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.82 -45.45 86.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.447 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.61 -28.11 69.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.065 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -37.29 75.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.16 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.691 179.614 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 111.359 0.133 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.92 -19.14 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -42.17 -32.18 0.45 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.933 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.57 86.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.115 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.53 -40.15 88.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.557 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -27.2 68.8 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -50.94 35.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.106 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.416 HD12 ' C ' ' A' ' 11' ' ' LEU . 4.3 pp . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.899 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tttt . . . . . 0 CA--C 1.52 -0.204 0 N-CA-C 111.409 0.151 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.65 -19.08 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.11 -32.05 0.43 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.218 -1.355 . . . . 0.0 111.14 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -47.34 86.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.53 -42.3 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.82 -44.01 91.26 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.388 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -27.71 69.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -70.1 -39.93 75.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.248 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 179.68 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.379 0.14 . . . . 0.0 111.379 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -55.55 -19.41 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 3' ' ' LYS . 7.5 t -42.09 -31.84 0.4 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.035 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -59.91 -47.75 84.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.199 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -61.61 -41.87 98.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.11 -43.24 92.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.411 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.76 -27.1 69.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.129 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.99 -39.03 76.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.67 179.555 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.161 0 N-CA-C 111.335 0.124 . . . . 0.0 111.335 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.17 -19.1 6.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.56 -31.89 0.31 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.246 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -48.37 81.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.11 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -62.89 -39.58 94.91 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -42.31 84.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.545 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -26.81 68.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -70.16 -49.59 48.96 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.514 HD12 ' C ' ' A' ' 11' ' ' LEU . 4.1 pp . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.431 0.158 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 t -56.14 -19.15 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.76 -31.36 0.3 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.163 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -61.37 -50.01 74.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.075 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -63.48 -38.88 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.18 -41.09 90.75 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.377 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -27.5 69.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.141 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.7 74.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.313 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.663 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.44 -18.65 6.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -41.85 -31.34 0.31 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.209 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.28 -49.17 78.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.091 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.7 -40.02 95.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.42 -40.94 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.302 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.83 -26.94 68.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.193 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.24 81.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.36 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.767 179.755 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 tttt . . . . . 0 CA--C 1.52 -0.202 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.12 -18.52 8.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -42.35 -31.68 0.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.122 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.46 -47.23 87.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.998 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -44.16 96.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.69 -44.71 92.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.432 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.96 -26.86 68.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.843 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -38.4 75.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.096 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.741 179.596 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.438 0.161 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.92 -19.38 6.85 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -42.05 -31.8 0.39 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.059 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -60.34 -48.7 80.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.055 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -62.6 -40.23 96.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.25 -42.83 92.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.427 178.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.61 -27.41 69.18 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.129 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -70.14 -39.93 75.09 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.711 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 111.351 0.13 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.86 -19.46 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -42.92 -31.71 0.54 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.957 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -45.34 91.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.129 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -61.23 -44.91 96.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.7 -26.87 68.86 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.025 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.41 -39.21 78.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.283 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.644 179.621 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.389 0.137 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -41.88 -31.56 0.34 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.205 -1.362 . . . . 0.0 111.065 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.23 -49.28 78.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.077 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -61.41 -40.99 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.92 -43.81 91.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.408 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -27.5 68.7 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.086 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -43.83 70.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.264 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.749 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.01 -17.97 6.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -40.58 -32.08 0.19 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.366 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.86 -52.08 65.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.932 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -37.12 85.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -65.12 -43.78 90.87 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.39 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -27.19 68.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.069 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.23 75.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.801 179.661 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.448 0.166 . . . . 0.0 111.372 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.07 -19.63 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 3' ' ' LYS . 6.8 t -44.88 -31.13 1.14 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.722 178.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -58.66 -40.58 83.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -50.35 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.701 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -41.14 97.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -28.68 70.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.783 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -36.95 82.75 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.234 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.1 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.696 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -99.98 30.8 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 12.79 29.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.438 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.4 t -56.61 -18.4 6.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.41 -32.04 0.29 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.119 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -49.21 78.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.085 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -62.11 -40.47 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.19 -42.88 93.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.508 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.99 68.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.66 73.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.23 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tp -70.2 -34.2 72.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.774 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -15.35 56.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.315 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -32.94 66.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -44.94 91.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 mm -71.88 -30.74 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.48 -47.7 84.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -87.07 55.95 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.21 29.82 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.091 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -83.92 141.42 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.39 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.343 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.814 0.34 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 22.21 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.1 13.04 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.422 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.39 -18.05 7.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -40.96 -32.06 0.21 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.301 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -51.15 69.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.967 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.7 mp -65.1 -44.29 89.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.426 178.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.11 -28.57 69.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.095 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -38.0 75.54 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 8' ' ' LEU . 9.0 mt -70.13 -37.6 75.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -41.08 91.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.724 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -32.6 72.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.451 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -30.98 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.4 mt -72.7 -27.88 26.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.953 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -96.67 32.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -82.37 -170.99 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.1 43.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -86.85 155.05 20.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 39.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.52 17.49 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.35 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.8 -19.46 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.54 -31.48 0.45 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.995 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.79 -46.2 89.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.174 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.37 97.27 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.91 -41.82 95.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.398 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -27.68 69.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.923 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -70.06 -43.94 70.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.203 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -32.04 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.73 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.35 -30.72 71.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -58.34 -35.18 71.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -30.82 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.2 -41.27 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 59.21 48.71 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -59.89 146.62 41.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.79 45.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.11 -59.73 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.385 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.824 0.345 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.12 54.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.2 11.62 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.577 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -55.19 -18.58 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.54 -31.92 0.31 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.017 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -58.89 -48.84 80.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.104 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -63.31 -38.28 90.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.66 -43.45 93.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.215 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.57 -27.56 64.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.206 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -46.26 68.93 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.254 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -30.61 67.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.731 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -21.73 61.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -29.15 59.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.85 0.357 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -64.25 -40.04 95.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.2 mm -70.02 -35.23 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -75.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -82.18 142.09 32.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.05 38.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.03 99.11 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.815 0.34 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -98.12 29.51 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.35 17.18 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.46 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.39 -18.89 7.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.27 -32.8 0.32 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.206 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -49.24 78.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.986 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -38.21 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 8' ' ' LEU . 9.6 mt -64.63 -45.96 84.6 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.395 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.62 -29.0 69.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.129 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -34.54 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.031 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -42.56 72.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.664 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.07 -32.23 73.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.713 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 t -61.05 -31.39 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.19 -38.13 87.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.779 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 mm -71.67 -29.06 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -101.84 32.39 3.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.97 115.81 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.17 24.84 4.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -95.11 -54.07 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -98.94 29.48 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER 47.68 24.31 0.53 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.854 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.48 -18.53 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -43.17 -31.37 0.57 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.161 -1.381 . . . . 0.0 110.983 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -49.64 76.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.221 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.52 -39.71 94.41 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.95 -41.78 90.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.39 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.91 -27.48 68.85 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.057 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -44.56 72.73 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.31 -34.46 72.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.707 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.12 3.57 38.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.496 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -59.16 -34.07 71.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -46.26 91.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mm -71.3 -32.21 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.27 -69.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.58 109.19 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.22 31.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -76.83 175.01 9.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.355 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.821 0.343 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -99.94 31.4 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -115.03 12.58 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.505 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.12 -18.99 6.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -41.51 -31.79 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.195 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.77 80.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.33 -41.34 94.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.427 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -28.78 70.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.047 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -70.1 -45.01 67.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.219 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.28 -27.4 64.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.876 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -41.74 92.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.78 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -60.89 -31.36 70.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -30.62 68.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.553 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.687 HG22 ' HB2' ' A' ' 17' ' ' ASN . 32.1 mt -76.52 -36.52 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 57.89 21.43 7.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.687 ' HB2' HG22 ' A' ' 15' ' ' ILE . 24.0 t-20 -95.13 139.68 31.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.351 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -95.17 29.34 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -95.02 -51.62 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.829 0.347 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -98.85 26.55 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.43 14.39 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.303 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.7 -18.18 6.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.35 -32.12 0.29 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.244 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -60.79 -49.13 78.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.002 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -39.24 92.4 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.82 -45.45 86.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.447 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.61 -28.11 69.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.065 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -37.29 75.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.16 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.2 -39.88 74.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.691 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -35.89 81.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -60.49 -28.93 68.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.72 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.53 -34.15 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.686 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.519 HG22 ' HB2' ' A' ' 17' ' ' ASN . 19.7 mt -74.69 -36.78 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 60.23 20.5 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.223 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.519 ' HB2' HG22 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -95.09 104.0 15.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.858 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -95.13 26.93 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -94.99 119.55 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.41 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.804 0.335 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.97 33.97 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 17.92 9.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.359 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.92 -19.14 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -42.17 -32.18 0.45 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.933 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.57 86.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.115 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.53 -40.15 88.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.557 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -27.2 68.8 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -50.94 35.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.106 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 12' ' ' PHE . 4.3 pp -70.35 -21.89 62.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.899 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.472 ' N ' HD12 ' A' ' 11' ' ' LEU . 35.6 t80 -65.65 -39.49 91.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.786 0.327 . . . . 0.0 110.835 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -58.33 -31.52 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.724 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -30.94 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.4 mt -74.84 -30.26 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.36 -40.78 93.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -60.54 -63.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -95.15 43.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.9 117.32 18.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 27.14 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -145.03 16.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.65 -19.08 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.11 -32.05 0.43 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.218 -1.355 . . . . 0.0 111.14 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -47.34 86.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.53 -42.3 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.82 -44.01 91.26 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.388 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -27.71 69.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -70.1 -39.93 75.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.248 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.15 -36.53 74.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.96 -35.66 78.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -59.54 -39.88 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.719 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -64.39 -40.33 95.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mm -76.05 -29.85 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -27.49 67.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -93.72 45.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.15 25.65 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -95.05 -53.22 3.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.835 0.35 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 -3.5 35.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.379 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -142.04 15.98 2.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.379 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -55.55 -19.41 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 3' ' ' LYS . 7.5 t -42.09 -31.84 0.4 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.035 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -59.91 -47.75 84.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.199 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -61.61 -41.87 98.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.11 -43.24 92.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.411 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.76 -27.1 69.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.129 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.99 -39.03 76.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.16 -38.79 75.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.67 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -29.71 70.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -29.97 62.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -33.01 74.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.773 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.0 mt -72.85 -33.0 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -108.51 30.86 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.23 105.45 3.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.16 31.23 1.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -54.06 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.931 0.396 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.62 29.85 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.12 14.93 24.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.335 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.17 -19.1 6.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.56 -31.89 0.31 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.246 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -48.37 81.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.11 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -62.89 -39.58 94.91 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -42.31 84.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.545 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -26.81 68.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -70.16 -49.59 48.96 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 12' ' ' PHE . 4.1 pp -70.45 -24.29 62.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.706 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -73.05 -42.11 63.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -58.35 -35.63 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.708 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -41.68 85.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mm -77.29 -16.9 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.351 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 70.74 92.49 0.08 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -57.24 92.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.056 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.15 28.13 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -169.88 2.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.812 0.339 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 25.44 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.04 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -115.17 15.55 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.199 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 t -56.14 -19.15 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.76 -31.36 0.3 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.163 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -61.37 -50.01 74.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.075 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -63.48 -38.88 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.18 -41.09 90.75 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.377 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -27.5 69.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.141 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.7 74.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.313 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.21 -31.44 68.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -27.6 67.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -57.31 -32.04 66.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -68.84 -31.02 69.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.6 HG22 ' HB2' ' A' ' 17' ' ' ASN . 20.3 mt -81.37 -24.29 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.25 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 1.8 pm0 43.93 33.95 0.84 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.532 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.6 ' HB2' HG22 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -93.6 -2.99 53.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.446 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -95.18 29.65 2.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.669 0.271 . . . . 0.0 111.247 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -95.08 45.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.992 0.425 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.809 0.337 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.08 46.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.5 13.18 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.41 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.44 -18.65 6.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -41.85 -31.34 0.31 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.209 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.28 -49.17 78.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.091 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.7 -40.02 95.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.42 -40.94 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.302 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.83 -26.94 68.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.193 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.24 81.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.36 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.15 -38.21 75.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.767 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -34.73 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -59.79 -35.52 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -67.47 -31.46 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -79.68 -30.72 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -88.08 -33.54 18.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -62.11 174.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -95.2 33.93 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.015 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -91.85 106.98 18.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 25.71 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -147.55 18.19 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.396 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.12 -18.52 8.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -42.35 -31.68 0.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.122 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.46 -47.23 87.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.998 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -44.16 96.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.69 -44.71 92.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.432 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.96 -26.86 68.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.843 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -38.4 75.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.096 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.17 -40.38 74.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.741 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -65.14 -44.87 87.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.769 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.4 p -57.86 -31.12 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.628 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.84 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.657 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mt -73.84 -31.0 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.007 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -101.71 31.15 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -88.53 160.03 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -95.14 41.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 44.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -94.42 18.21 11.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -144.06 16.93 1.74 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.132 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.92 -19.38 6.85 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -42.05 -31.8 0.39 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.059 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -60.34 -48.7 80.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.055 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -62.6 -40.23 96.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.25 -42.83 92.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.427 178.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.61 -27.41 69.18 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.129 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -70.14 -39.93 75.09 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -35.6 73.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.711 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -31.58 71.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -59.93 -40.48 89.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.768 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -62.62 -32.38 73.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.623 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 mm -72.21 -32.1 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.2 -64.72 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -71.2 93.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.01 44.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -91.94 109.66 21.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.87 30.88 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 18.24 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.351 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.86 -19.46 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -42.92 -31.71 0.54 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.957 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -45.34 91.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.129 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -61.23 -44.91 96.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.7 -26.87 68.86 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.025 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.41 -39.21 78.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.283 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.18 -38.84 75.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.644 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -31.39 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -59.74 -33.78 72.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -66.13 -38.51 88.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.748 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -75.39 -27.84 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -92.06 50.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -83.52 58.49 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -95.12 30.53 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -65.78 93.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.366 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.805 0.336 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.92 31.46 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -116.15 17.28 15.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.292 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -41.88 -31.56 0.34 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.205 -1.362 . . . . 0.0 111.065 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.23 -49.28 78.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.077 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -61.41 -40.99 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.92 -43.81 91.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.408 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -27.5 68.7 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.086 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -43.83 70.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.264 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -30.94 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.749 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.15 -35.65 80.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.3 t -59.69 -37.77 79.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -32.16 73.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.3 mt -79.77 -31.38 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -100.68 28.6 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.024 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -95.03 121.91 37.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -95.22 26.33 3.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -95.03 142.43 27.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.922 0.391 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.46 -8.2 53.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.356 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 11.49 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.431 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.01 -17.97 6.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -40.58 -32.08 0.19 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.366 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.86 -52.08 65.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.932 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -37.12 85.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -65.12 -43.78 90.87 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.39 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -27.19 68.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.069 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.23 75.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.11 -39.54 75.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.801 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -31.9 69.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 t -60.38 -30.45 69.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -66.38 -36.51 83.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.7 mt -72.84 -30.17 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -89.57 -66.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -84.22 -169.12 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.12 29.25 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -32.27 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.359 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.9 0.381 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.79 36.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -116.92 21.6 13.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.372 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.07 -19.63 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 3' ' ' LYS . 6.8 t -44.88 -31.13 1.14 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.722 178.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -58.66 -40.58 83.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -50.35 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.701 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -41.14 97.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -28.68 70.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.783 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -36.95 82.75 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.234 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.1 tp -70.13 -42.54 72.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.696 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -73.46 -38.25 65.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 p -55.83 -30.44 61.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.856 0.36 . . . . 0.0 110.72 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -63.44 -38.9 92.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.655 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.7 mm -75.77 -12.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.529 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.32 -76.69 0.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.0 111.368 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -71.33 -37.56 71.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.08 49.5 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.029 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -78.23 -50.09 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.366 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.197 0 N-CA-C 111.438 0.162 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.4 t -56.61 -18.4 6.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.41 -32.04 0.29 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.119 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -49.21 78.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.085 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -62.11 -40.47 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.19 -42.88 93.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.508 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.99 68.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.66 73.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.23 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.774 179.69 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.39 -18.05 7.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -40.96 -32.06 0.21 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.301 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -51.15 69.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.967 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.7 mp -65.1 -44.29 89.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.426 178.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.11 -28.57 69.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.095 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -38.0 75.54 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 8' ' ' LEU . 9.0 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.412 0.149 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.8 -19.46 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.54 -31.48 0.45 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.995 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.79 -46.2 89.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.174 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.37 97.27 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.91 -41.82 95.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.398 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -27.68 69.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.923 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -70.06 -43.94 70.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.203 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.73 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -55.19 -18.58 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.54 -31.92 0.31 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.017 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -58.89 -48.84 80.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.104 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -63.31 -38.28 90.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.66 -43.45 93.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.215 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.57 -27.56 64.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.206 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -46.26 68.93 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.254 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.731 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 111.46 0.171 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.39 -18.89 7.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.27 -32.8 0.32 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.206 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -49.24 78.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.986 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -38.21 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 8' ' ' LEU . 9.6 mt -64.63 -45.96 84.6 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.395 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.62 -29.0 69.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.129 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -34.54 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.031 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.664 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.206 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.48 -18.53 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -43.17 -31.37 0.57 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.161 -1.381 . . . . 0.0 110.983 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -49.64 76.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.221 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.52 -39.71 94.41 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.95 -41.78 90.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.39 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.91 -27.48 68.85 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.057 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -44.56 72.73 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.707 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 tptm . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.12 -18.99 6.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -41.51 -31.79 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.195 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.77 80.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.33 -41.34 94.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.427 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -28.78 70.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.047 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -70.1 -45.01 67.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.219 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.876 179.612 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.396 0.141 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.7 -18.18 6.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.35 -32.12 0.29 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.244 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -60.79 -49.13 78.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.002 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -39.24 92.4 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.82 -45.45 86.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.447 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.61 -28.11 69.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.065 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -37.29 75.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.16 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.691 179.614 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 111.359 0.133 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.92 -19.14 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -42.17 -32.18 0.45 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.933 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.57 86.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.115 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.53 -40.15 88.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.557 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -27.2 68.8 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -50.94 35.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.106 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.416 HD12 ' C ' ' A' ' 11' ' ' LEU . 4.3 pp . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.899 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tttt . . . . . 0 CA--C 1.52 -0.204 0 N-CA-C 111.409 0.151 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.65 -19.08 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.11 -32.05 0.43 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.218 -1.355 . . . . 0.0 111.14 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -47.34 86.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.53 -42.3 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.82 -44.01 91.26 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.388 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -27.71 69.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -70.1 -39.93 75.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.248 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 179.68 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.379 0.14 . . . . 0.0 111.379 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -55.55 -19.41 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 3' ' ' LYS . 7.5 t -42.09 -31.84 0.4 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.035 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -59.91 -47.75 84.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.199 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -61.61 -41.87 98.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.11 -43.24 92.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.411 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.76 -27.1 69.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.129 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.99 -39.03 76.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.67 179.555 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.161 0 N-CA-C 111.335 0.124 . . . . 0.0 111.335 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.17 -19.1 6.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.56 -31.89 0.31 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.246 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -48.37 81.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.11 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -62.89 -39.58 94.91 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -42.31 84.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.545 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -26.81 68.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -70.16 -49.59 48.96 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.514 HD12 ' C ' ' A' ' 11' ' ' LEU . 4.1 pp . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.431 0.158 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 t -56.14 -19.15 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.76 -31.36 0.3 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.163 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -61.37 -50.01 74.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.075 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -63.48 -38.88 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.18 -41.09 90.75 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.377 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -27.5 69.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.141 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.7 74.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.313 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.663 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.44 -18.65 6.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -41.85 -31.34 0.31 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.209 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.28 -49.17 78.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.091 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.7 -40.02 95.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.42 -40.94 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.302 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.83 -26.94 68.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.193 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.24 81.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.36 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.767 179.755 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 tttt . . . . . 0 CA--C 1.52 -0.202 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.12 -18.52 8.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -42.35 -31.68 0.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.122 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.46 -47.23 87.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.998 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -44.16 96.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.69 -44.71 92.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.432 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.96 -26.86 68.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.843 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -38.4 75.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.096 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.741 179.596 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.438 0.161 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.92 -19.38 6.85 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -42.05 -31.8 0.39 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.059 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -60.34 -48.7 80.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.055 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -62.6 -40.23 96.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.25 -42.83 92.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.427 178.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.61 -27.41 69.18 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.129 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -70.14 -39.93 75.09 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.711 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 111.351 0.13 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.86 -19.46 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -42.92 -31.71 0.54 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.957 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -45.34 91.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.129 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -61.23 -44.91 96.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.7 -26.87 68.86 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.025 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.41 -39.21 78.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.283 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.644 179.621 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.389 0.137 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -41.88 -31.56 0.34 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.205 -1.362 . . . . 0.0 111.065 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.23 -49.28 78.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.077 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -61.41 -40.99 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.92 -43.81 91.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.408 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -27.5 68.7 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.086 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -43.83 70.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.264 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.749 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.01 -17.97 6.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -40.58 -32.08 0.19 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.366 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.86 -52.08 65.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.932 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -37.12 85.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -65.12 -43.78 90.87 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.39 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -27.19 68.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.069 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.23 75.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.801 179.661 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.448 0.166 . . . . 0.0 111.372 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.07 -19.63 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 3' ' ' LYS . 6.8 t -44.88 -31.13 1.14 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.722 178.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -58.66 -40.58 83.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -50.35 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.701 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -41.14 97.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -28.68 70.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.783 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -36.95 82.75 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.234 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.1 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.696 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -99.98 30.8 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 12.79 29.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.438 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.4 t -56.61 -18.4 6.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.41 -32.04 0.29 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.119 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -49.21 78.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.085 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -62.11 -40.47 96.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.19 -42.88 93.19 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.508 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.99 68.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.66 73.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.23 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tp -70.2 -34.2 72.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.774 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -15.35 56.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.315 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -32.94 66.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -44.94 91.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 mm -71.88 -30.74 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.48 -47.7 84.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -87.07 55.95 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.21 29.82 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.091 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -83.92 141.42 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.39 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.343 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.814 0.34 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 22.21 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.1 13.04 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.422 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.39 -18.05 7.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -40.96 -32.06 0.21 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.301 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -51.15 69.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.967 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -37.8 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.639 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.7 mp -65.1 -44.29 89.28 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.426 178.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.11 -28.57 69.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.095 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -38.0 75.54 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 8' ' ' LEU . 9.0 mt -70.13 -37.6 75.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.775 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -41.08 91.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.724 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -32.6 72.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.451 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -30.98 71.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.4 mt -72.7 -27.88 26.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.953 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -96.67 32.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -82.37 -170.99 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.1 43.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -86.85 155.05 20.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 39.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.52 17.49 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.35 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.8 -19.46 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.54 -31.48 0.45 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.995 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.79 -46.2 89.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.174 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -44.37 97.27 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.91 -41.82 95.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.398 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -27.68 69.33 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.923 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -70.06 -43.94 70.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.203 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -32.04 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.73 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.35 -30.72 71.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -58.34 -35.18 71.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -30.82 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.2 -41.27 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 59.21 48.71 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -59.89 146.62 41.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.79 45.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.11 -59.73 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.385 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.824 0.345 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.12 54.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.2 11.62 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.577 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.2 t -55.19 -18.58 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.54 -31.92 0.31 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.017 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -58.89 -48.84 80.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.104 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -63.31 -38.28 90.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.66 -43.45 93.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.215 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.57 -27.56 64.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.206 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -46.26 68.93 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.254 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -30.61 67.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.731 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -21.73 61.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -29.15 59.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.85 0.357 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -64.25 -40.04 95.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.2 mm -70.02 -35.23 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -75.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -82.18 142.09 32.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.05 38.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.03 99.11 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.815 0.34 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -98.12 29.51 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.35 17.18 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.46 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.39 -18.89 7.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.27 -32.8 0.32 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.206 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -49.24 78.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.986 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -38.21 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 8' ' ' LEU . 9.6 mt -64.63 -45.96 84.6 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.395 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.62 -29.0 69.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.129 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -34.54 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.031 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -42.56 72.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.664 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.07 -32.23 73.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.713 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 t -61.05 -31.39 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.19 -38.13 87.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.779 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 mm -71.67 -29.06 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -101.84 32.39 3.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.97 115.81 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.17 24.84 4.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -95.11 -54.07 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -98.94 29.48 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER 47.68 24.31 0.53 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.854 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.48 -18.53 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -43.17 -31.37 0.57 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.161 -1.381 . . . . 0.0 110.983 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -49.64 76.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.221 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.52 -39.71 94.41 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.95 -41.78 90.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.39 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.91 -27.48 68.85 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.057 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -44.56 72.73 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.31 -34.46 72.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.707 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.12 3.57 38.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.496 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -59.16 -34.07 71.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -46.26 91.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mm -71.3 -32.21 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.27 -69.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.58 109.19 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.22 31.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -76.83 175.01 9.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.355 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.821 0.343 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -99.94 31.4 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -115.03 12.58 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.505 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.12 -18.99 6.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -41.51 -31.79 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.195 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.77 80.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -41.08 98.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.33 -41.34 94.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.427 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.58 -28.78 70.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.047 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -70.1 -45.01 67.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.219 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.28 -27.4 64.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.876 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -41.74 92.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.78 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -60.89 -31.36 70.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -30.62 68.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.553 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.687 HG22 ' HB2' ' A' ' 17' ' ' ASN . 32.1 mt -76.52 -36.52 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 57.89 21.43 7.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.687 ' HB2' HG22 ' A' ' 15' ' ' ILE . 24.0 t-20 -95.13 139.68 31.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.351 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -95.17 29.34 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -95.02 -51.62 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.829 0.347 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -98.85 26.55 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.43 14.39 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.303 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.7 -18.18 6.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.079 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -41.35 -32.12 0.29 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.244 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -60.79 -49.13 78.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.002 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -39.24 92.4 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.82 -45.45 86.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.447 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.61 -28.11 69.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.065 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -37.29 75.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.16 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.2 -39.88 74.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.691 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -35.89 81.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -60.49 -28.93 68.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.72 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.53 -34.15 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.686 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.519 HG22 ' HB2' ' A' ' 17' ' ' ASN . 19.7 mt -74.69 -36.78 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 60.23 20.5 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.223 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.519 ' HB2' HG22 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -95.09 104.0 15.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.858 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -95.13 26.93 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -94.99 119.55 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.41 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.804 0.335 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.97 33.97 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 17.92 9.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.359 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.7 t -55.92 -19.14 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -42.17 -32.18 0.45 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.933 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -46.57 86.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.115 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.53 -40.15 88.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.557 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -27.2 68.8 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -50.94 35.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.106 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 12' ' ' PHE . 4.3 pp -70.35 -21.89 62.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.899 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.472 ' N ' HD12 ' A' ' 11' ' ' LEU . 35.6 t80 -65.65 -39.49 91.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.786 0.327 . . . . 0.0 110.835 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -58.33 -31.52 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.724 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -30.94 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.4 mt -74.84 -30.26 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.36 -40.78 93.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -60.54 -63.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -95.15 43.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.9 117.32 18.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 27.14 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -145.03 16.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.65 -19.08 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -42.11 -32.05 0.43 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.218 -1.355 . . . . 0.0 111.14 178.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -47.34 86.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.102 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.53 -42.3 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.82 -44.01 91.26 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.388 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -27.71 69.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -70.1 -39.93 75.25 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.248 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.15 -36.53 74.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.96 -35.66 78.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -59.54 -39.88 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.719 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -64.39 -40.33 95.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mm -76.05 -29.85 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -27.49 67.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -93.72 45.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.15 25.65 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -95.05 -53.22 3.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.835 0.35 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 -3.5 35.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.379 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -142.04 15.98 2.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.379 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.2 t -55.55 -19.41 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 3' ' ' LYS . 7.5 t -42.09 -31.84 0.4 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.035 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -59.91 -47.75 84.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.199 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -61.61 -41.87 98.06 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.11 -43.24 92.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.411 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.76 -27.1 69.05 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.129 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.99 -39.03 76.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.16 -38.79 75.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.67 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -29.71 70.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -29.97 62.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -33.01 74.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.773 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.0 mt -72.85 -33.0 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -108.51 30.86 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.23 105.45 3.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.16 31.23 1.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -54.06 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.931 0.396 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.62 29.85 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.12 14.93 24.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.335 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.17 -19.1 6.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -41.56 -31.89 0.31 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.246 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -48.37 81.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.11 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -62.89 -39.58 94.91 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -42.31 84.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.545 178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -26.81 68.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -70.16 -49.59 48.96 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.281 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 12' ' ' PHE . 4.1 pp -70.45 -24.29 62.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.706 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -73.05 -42.11 63.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -58.35 -35.63 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.708 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -41.68 85.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mm -77.29 -16.9 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.351 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 70.74 92.49 0.08 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.841 0.353 . . . . 0.0 110.793 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -57.24 92.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.056 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.15 28.13 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -169.88 2.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.812 0.339 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 25.44 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.04 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -115.17 15.55 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.199 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 t -56.14 -19.15 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -41.76 -31.36 0.3 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.163 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -61.37 -50.01 74.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.075 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -63.48 -38.88 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.18 -41.09 90.75 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.377 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -27.5 69.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.141 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -42.7 74.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.313 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.21 -31.44 68.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -27.6 67.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -57.31 -32.04 66.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -68.84 -31.02 69.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.6 HG22 ' HB2' ' A' ' 17' ' ' ASN . 20.3 mt -81.37 -24.29 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.25 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 1.8 pm0 43.93 33.95 0.84 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.532 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.6 ' HB2' HG22 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -93.6 -2.99 53.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.446 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -95.18 29.65 2.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.669 0.271 . . . . 0.0 111.247 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -95.08 45.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.992 0.425 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.809 0.337 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.08 46.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.5 13.18 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.41 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.44 -18.65 6.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -41.85 -31.34 0.31 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.209 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.28 -49.17 78.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.091 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.7 -40.02 95.75 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.42 -40.94 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.302 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.83 -26.94 68.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.193 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.24 81.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.36 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.15 -38.21 75.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.767 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -34.73 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -59.79 -35.52 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -67.47 -31.46 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -79.68 -30.72 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -88.08 -33.54 18.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -62.11 174.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -95.2 33.93 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.015 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -91.85 106.98 18.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.77 25.71 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -147.55 18.19 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.396 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.12 -18.52 8.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -42.35 -31.68 0.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.122 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.46 -47.23 87.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.998 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -44.16 96.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.69 -44.71 92.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.432 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.96 -26.86 68.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.843 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -38.4 75.5 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.096 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.17 -40.38 74.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.741 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -65.14 -44.87 87.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.769 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.4 p -57.86 -31.12 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.628 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.84 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.657 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mt -73.84 -31.0 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.007 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -101.71 31.15 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -88.53 160.03 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -95.14 41.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 44.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -94.42 18.21 11.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -144.06 16.93 1.74 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.132 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.92 -19.38 6.85 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -42.05 -31.8 0.39 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.059 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -60.34 -48.7 80.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.055 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -62.6 -40.23 96.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.25 -42.83 92.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.427 178.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.61 -27.41 69.18 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.129 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -70.14 -39.93 75.09 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.267 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -35.6 73.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.711 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -31.58 71.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -59.93 -40.48 89.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.768 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -62.62 -32.38 73.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.623 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 mm -72.21 -32.1 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.2 -64.72 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -71.2 93.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.01 44.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -91.94 109.66 21.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.87 30.88 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 18.24 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.351 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.86 -19.46 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -42.92 -31.71 0.54 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.957 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -45.34 91.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.129 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -61.23 -44.91 96.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.72 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -41.51 95.41 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.7 -26.87 68.86 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.025 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.41 -39.21 78.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.283 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.18 -38.84 75.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.644 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -31.39 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -59.74 -33.78 72.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -66.13 -38.51 88.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.748 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -75.39 -27.84 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -92.06 50.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -83.52 58.49 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -95.12 30.53 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -65.78 93.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.366 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.805 0.336 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.92 31.46 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -116.15 17.28 15.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.292 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -41.88 -31.56 0.34 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.205 -1.362 . . . . 0.0 111.065 178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.23 -49.28 78.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.077 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -61.41 -40.99 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.92 -43.81 91.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.408 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -27.5 68.7 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.086 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.02 -43.83 70.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.264 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -30.94 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.749 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.15 -35.65 80.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.3 t -59.69 -37.77 79.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -32.16 73.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.3 mt -79.77 -31.38 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -100.68 28.6 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.024 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -95.03 121.91 37.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -95.22 26.33 3.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -95.03 142.43 27.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.922 0.391 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.46 -8.2 53.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.356 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 11.49 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.431 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.01 -17.97 6.7 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -40.58 -32.08 0.19 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.366 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.86 -52.08 65.58 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.932 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -37.12 85.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -65.12 -43.78 90.87 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.39 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -27.19 68.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.069 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -37.23 75.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.11 -39.54 75.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.801 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -31.9 69.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 t -60.38 -30.45 69.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -66.38 -36.51 83.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.7 mt -72.84 -30.17 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -89.57 -66.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -84.22 -169.12 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.12 29.25 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -32.27 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.359 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.9 0.381 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.79 36.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -116.92 21.6 13.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.372 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.07 -19.63 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 3' ' ' LYS . 6.8 t -44.88 -31.13 1.14 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.722 178.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -58.66 -40.58 83.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.959 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -50.35 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.701 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -41.14 97.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -28.68 70.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.783 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -36.95 82.75 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.234 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.1 tp -70.13 -42.54 72.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.696 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -73.46 -38.25 65.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 p -55.83 -30.44 61.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.856 0.36 . . . . 0.0 110.72 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -63.44 -38.9 92.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.655 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.7 mm -75.77 -12.0 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.529 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.32 -76.69 0.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.0 111.368 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -71.33 -37.56 71.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.08 49.5 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.029 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -78.23 -50.09 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.366 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_