data_1p5k_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 1p5k _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 -0.198 0 CA-C-O 120.426 0.155 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.17 -18.14 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -41.59 -31.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.237 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -48.17 83.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.79 98.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.6 mt -64.87 -42.65 94.68 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.404 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.94 -26.47 68.83 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.113 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -40.05 75.4 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.244 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.641 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 111.425 0.157 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.4 t -55.84 -19.81 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.09 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -42.37 -31.97 0.47 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.02 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -47.07 86.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.164 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -41.07 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.353 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.83 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.955 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.89 -47.14 66.59 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.121 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 179.516 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttt . . . . . 0 CA--C 1.521 -0.152 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.42 -18.27 6.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -41.44 -31.27 0.24 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.352 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -50.37 71.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.083 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -38.2 90.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.38 -41.92 88.71 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.474 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -62.83 -27.31 69.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.068 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -42.64 72.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.756 179.717 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.63 -19.08 8.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -42.14 -31.32 0.36 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.92 70.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.004 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -37.44 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -42.88 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.406 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.04 -27.05 68.62 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -70.07 -39.44 75.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.795 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt . . . . . 0 CA--C 1.522 -0.13 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.34 -17.29 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.409 ' CE2' ' HG3' ' A' ' 9' ' ' GLU . 31.8 t80 -42.88 -30.52 0.41 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.231 178.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -61.6 -49.4 76.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.036 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -39.52 94.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -41.14 92.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.363 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HG3' ' CE2' ' A' ' 5' ' ' PHE . 3.2 mt-10 -62.04 -28.02 69.3 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.11 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -69.99 -44.68 68.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.306 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.829 179.604 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.378 0.132 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.61 -19.75 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -41.97 -31.99 0.39 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.017 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -59.82 -48.0 83.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.157 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -42.25 98.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.53 -43.15 94.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.461 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.15 -28.44 70.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.955 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -44.0 69.73 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.216 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.826 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 111.374 0.138 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -55.87 -19.43 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -41.95 -31.85 0.38 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.106 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -47.98 83.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.106 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -62.6 -40.38 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.6 -43.24 90.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.426 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.81 -26.94 68.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.088 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -70.08 -41.3 74.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.306 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.716 179.632 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.59 -19.21 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.84 -31.02 0.44 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.96 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.21 90.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.201 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -63.15 -43.03 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt -65.81 -39.21 90.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.163 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -41.34 74.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.3 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.619 . . . . . . . . 0 0 . 1 . 009 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 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.13 -19.22 7.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.54 -32.21 0.53 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.961 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -46.27 88.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.048 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -44.83 93.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.42 91.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.48 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.96 -28.36 69.76 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.864 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.14 -36.14 74.55 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.995 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.68 179.607 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 tptt . . . . . 0 CA--C 1.52 -0.183 0 N-CA-C 111.364 0.135 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.17 -18.77 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -41.55 -32.37 0.35 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.148 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.148 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -62.03 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.482 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.19 -28.09 69.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.073 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -70.08 -41.69 73.76 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.71 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.438 0.161 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.12 -19.51 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -42.4 -31.7 0.45 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.257 -1.338 . . . . 0.0 111.019 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.23 -47.28 85.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.114 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -62.34 -42.29 99.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.55 -41.31 96.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.386 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -28.22 69.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.166 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -45.12 68.01 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.157 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.73 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 tttp . . . . . 0 CA--C 1.521 -0.153 0 N-CA-C 111.43 0.159 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -56.17 -18.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.089 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -42.73 -31.27 0.45 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.032 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -45.91 91.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -62.61 -44.15 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -40.01 94.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 178.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -28.13 69.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.015 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.21 68.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.175 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.622 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.5 -17.94 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -41.56 -31.2 0.25 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.258 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.47 72.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.029 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -64.22 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.41 91.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.277 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.53 -28.13 68.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.224 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -67.8 -42.89 80.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.319 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 179.607 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 111.336 0.125 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.27 -19.91 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -43.6 -31.19 0.71 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.894 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -44.32 92.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.064 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.67 -46.3 90.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.48 -41.3 96.55 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -27.35 68.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.996 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -70.01 -39.61 75.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.204 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.57 179.585 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.22 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -55.77 -19.53 6.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -43.29 -31.86 0.7 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.835 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -43.87 90.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.082 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.74 88.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.28 -43.18 95.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.433 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.73 -27.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.962 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -37.6 75.52 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.081 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.665 179.575 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 111.363 0.135 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.16 -17.79 6.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -41.12 -31.61 0.21 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.364 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -62.3 -52.04 65.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -43.25 85.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.403 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.89 -27.49 68.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.142 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -43.08 71.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.266 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.669 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 5' ' ' PHE . 11.8 ttmm . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.76 -18.8 5.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 3' ' ' LYS . 8.2 t80 -42.12 -31.21 0.35 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.09 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.63 -47.11 87.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.155 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.23 -42.54 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -39.6 92.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.038 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -68.08 -46.2 71.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.367 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.71 179.656 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.358 0.123 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.61 -19.55 6.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -42.57 -31.64 0.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.896 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -46.75 87.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -61.87 -42.7 99.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -41.77 95.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.354 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -28.21 69.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.054 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -68.27 -41.65 80.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.196 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.732 179.587 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -56.77 -18.01 6.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -41.61 -30.98 0.24 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.275 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -51.75 66.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.016 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.0 -40.82 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.277 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.72 -27.17 68.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.245 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -69.64 -41.85 75.06 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.417 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.214 0 CA-C-O 120.395 0.14 . . . . 0.0 111.327 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.22 -20.04 6.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -42.13 -32.27 0.45 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.011 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -47.86 84.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.092 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.7 -42.98 94.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.411 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.53 -28.74 70.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.033 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -43.17 71.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.231 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.722 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.829 0.347 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -91.97 49.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 16.79 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.299 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.17 -18.14 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -41.59 -31.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.237 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -48.17 83.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.79 98.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.6 mt -64.87 -42.65 94.68 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.404 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.94 -26.47 68.83 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.113 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -40.05 75.4 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.244 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -70.19 -37.74 75.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.82 -24.6 35.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.7 -37.07 65.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -60.6 -35.51 76.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.2 mm -69.37 -32.73 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -31.93 72.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -74.1 -42.65 59.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -95.06 43.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -45.01 39.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.387 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.834 0.35 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -98.47 28.31 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -144.98 17.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.425 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.4 t -55.84 -19.81 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.09 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -42.37 -31.97 0.47 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.02 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -47.07 86.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.164 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -41.07 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.353 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.83 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.955 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.89 -47.14 66.59 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.121 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -70.29 -31.82 69.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -38.68 65.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.97 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -56.92 -39.79 75.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.637 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.2 mm -74.25 -28.54 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.82 -31.06 66.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.86 -44.44 61.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -95.04 115.55 27.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -62.71 121.23 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.361 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 34.39 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -104.86 9.75 34.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.42 -18.27 6.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -41.44 -31.27 0.24 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.352 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -50.37 71.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.083 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -38.2 90.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.38 -41.92 88.71 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.474 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -62.83 -27.31 69.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.068 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -42.64 72.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.0 t -70.13 -32.3 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.756 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.93 -30.03 69.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.1 t -57.99 -34.46 70.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -43.89 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.433 HD13 HG21 ' A' ' 15' ' ' ILE . 6.4 mm -72.86 -25.77 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.237 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -56.19 -38.77 71.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.051 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -67.93 -31.41 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.61 108.41 19.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -91.24 -35.67 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.17 27.75 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.19 16.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.383 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.63 -19.08 8.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -42.14 -31.32 0.36 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.92 70.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.004 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -37.44 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -42.88 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.406 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.04 -27.05 68.62 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -70.07 -39.44 75.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -36.57 74.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.795 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -59.35 -42.52 91.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.0 t -60.14 -31.16 69.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.787 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -31.46 66.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.502 HD11 HG21 ' A' ' 15' ' ' ILE . 29.1 mt -82.37 -27.8 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -39.66 79.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -66.59 -38.04 86.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -71.57 116.51 12.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -35.39 80.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -13.53 18.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.41 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -150.56 16.21 0.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.606 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.34 -17.29 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.409 ' CE2' ' HG3' ' A' ' 9' ' ' GLU . 31.8 t80 -42.88 -30.52 0.41 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.231 178.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -61.6 -49.4 76.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.036 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -39.52 94.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -41.14 92.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.363 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HG3' ' CE2' ' A' ' 5' ' ' PHE . 3.2 mt-10 -62.04 -28.02 69.3 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.11 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -69.99 -44.68 68.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.306 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.1 p -70.14 -28.62 65.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.829 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -56.45 -30.25 62.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -35.9 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -63.72 -32.68 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.414 HG21 HD11 ' A' ' 15' ' ' ILE . 6.8 mm -71.73 -30.56 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.72 -30.91 69.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -92.27 -30.27 15.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.24 -31.99 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -91.48 115.89 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.768 0.318 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 51.78 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.72 18.49 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.306 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.61 -19.75 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -41.97 -31.99 0.39 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.017 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -59.82 -48.0 83.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.157 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -42.25 98.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.53 -43.15 94.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.461 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.15 -28.44 70.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.955 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -44.0 69.73 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.216 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -29.79 66.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.826 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -76.42 -27.77 56.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.6 m -57.71 -52.3 66.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -59.47 -32.0 69.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.595 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mm -75.63 -30.35 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.176 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -30.16 62.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.952 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.09 -31.69 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -89.33 93.99 9.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 134.77 47.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.781 0.325 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.72 30.62 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 17.83 20.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.374 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -55.87 -19.43 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -41.95 -31.85 0.38 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.106 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -47.98 83.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.106 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -62.6 -40.38 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.6 -43.24 90.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.426 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.81 -26.94 68.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.088 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -70.08 -41.3 74.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.306 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p -70.22 -34.78 73.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.716 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -23.47 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.45 -44.93 72.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -62.31 -31.46 72.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mt -84.66 -26.81 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.1 -30.37 59.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -76.93 -31.07 56.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.54 144.37 56.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.98 149.65 21.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 24.53 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.84 16.43 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.484 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.59 -19.21 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.84 -31.02 0.44 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.96 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.21 90.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.201 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -63.15 -43.03 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt -65.81 -39.21 90.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.163 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -41.34 74.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.3 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 t -70.24 -31.92 69.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -59.04 -31.18 68.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -36.05 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -30.45 71.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mt -76.41 -29.67 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -30.9 68.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -70.43 -46.17 64.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.04 132.92 50.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -93.67 124.41 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.828 0.347 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.25 28.21 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.01 17.58 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.322 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.13 -19.22 7.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.54 -32.21 0.53 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.961 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -46.27 88.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.048 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -44.83 93.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.42 91.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.48 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.96 -28.36 69.76 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.864 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.14 -36.14 74.55 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.995 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 m -70.14 -42.07 73.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.68 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -62.39 -44.9 95.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -59.05 -31.06 68.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -35.77 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.476 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 mm -72.81 -30.29 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.07 -33.38 71.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -76.34 -37.15 57.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.92 -55.2 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -95.01 45.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.813 0.34 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -99.94 30.78 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -133.74 13.0 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.364 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.17 -18.77 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -41.55 -32.37 0.35 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.148 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.148 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -62.03 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.482 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.19 -28.09 69.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.073 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -70.08 -41.69 73.76 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -33.96 72.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.71 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -33.41 70.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -59.69 -35.3 74.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -66.02 -27.8 68.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.771 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.4 mt -76.09 -28.9 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -30.13 61.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -31.79 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.68 -32.28 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmpm? -61.18 133.31 55.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.371 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -98.12 36.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 16.68 7.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.12 -19.51 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -42.4 -31.7 0.45 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.257 -1.338 . . . . 0.0 111.019 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.23 -47.28 85.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.114 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -62.34 -42.29 99.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.55 -41.31 96.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.386 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -28.22 69.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.166 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -45.12 68.01 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.157 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -27.96 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.73 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -83.21 3.93 28.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.513 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.9 t -56.38 -37.2 69.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.793 0.33 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -61.19 -39.47 90.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.425 HD11 HG22 ' A' ' 15' ' ' ILE . 25.2 mt -82.94 -31.62 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.81 -33.4 74.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -42.14 48.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -80.13 123.52 27.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.97 111.52 5.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.831 0.348 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 37.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -104.17 10.67 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.43 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -56.17 -18.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.089 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -42.73 -31.27 0.45 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.032 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -45.91 91.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -62.61 -44.15 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -40.01 94.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 178.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -28.13 69.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.015 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.21 68.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.175 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 m -70.29 -30.9 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -34.14 77.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.043 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.9 t -57.63 -40.83 80.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -22.09 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.768 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mt -80.67 -38.17 17.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.323 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -25.79 68.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -79.93 -37.67 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -75.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -95.04 127.31 41.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.356 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -99.59 23.54 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -138.0 11.68 2.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.409 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.5 -17.94 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -41.56 -31.2 0.25 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.258 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.47 72.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.029 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -64.22 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.41 91.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.277 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.53 -28.13 68.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.224 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -67.8 -42.89 80.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.319 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 p -70.21 -37.24 75.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -25.81 65.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 t -56.8 -35.04 68.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -30.72 71.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.32 -32.8 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -61.74 -31.71 71.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.6 -31.35 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -79.39 102.97 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 141.2 34.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.858 0.361 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.53 8.73 29.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.383 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.9 15.41 5.8 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.336 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.27 -19.91 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -43.6 -31.19 0.71 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.894 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -44.32 92.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.064 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.67 -46.3 90.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.48 -41.3 96.55 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -27.35 68.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.996 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -70.01 -39.61 75.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.204 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.6 t -70.27 -36.94 74.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.57 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -21.46 65.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.3 p -52.02 -29.42 20.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.836 0.35 . . . . 0.0 111.075 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -63.87 -34.53 78.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.0 mt -75.56 -31.26 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -39.08 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -73.69 -32.22 63.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.13 75.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 143.6 26.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.836 0.351 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 32.61 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.5 17.38 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.418 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -55.77 -19.53 6.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -43.29 -31.86 0.7 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.835 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -43.87 90.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.082 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.74 88.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.28 -43.18 95.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.433 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.73 -27.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.962 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -37.6 75.52 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.081 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.7 t -70.21 -40.81 74.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.665 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.52 -30.25 66.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.2 t -59.5 -44.12 93.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.75 -33.14 74.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mt -81.58 -28.03 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -35.76 73.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -34.2 77.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.09 108.87 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -67.31 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.77 0.319 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -89.71 -5.02 57.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.391 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -130.0 12.41 5.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.363 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.16 -17.79 6.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -41.12 -31.61 0.21 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.364 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -62.3 -52.04 65.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -43.25 85.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.403 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.89 -27.49 68.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.142 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -43.08 71.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.266 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t -70.25 -32.05 69.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -62.58 -40.16 96.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -59.86 -33.47 71.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.78 -32.91 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.8 mt -82.41 -30.78 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -66.67 -31.52 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -31.66 43.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -173.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -58.25 -179.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.368 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.815 0.341 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -100.05 53.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 5' ' ' PHE . 11.8 ttmm -88.3 9.36 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.478 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.76 -18.8 5.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 3' ' ' LYS . 8.2 t80 -42.12 -31.21 0.35 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.09 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.63 -47.11 87.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.155 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.23 -42.54 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -39.6 92.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.038 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -68.08 -46.2 71.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.367 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -70.29 -31.28 68.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.71 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.87 -25.79 64.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.35 -36.29 63.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.048 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -33.97 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.467 HG22 HD11 ' A' ' 15' ' ' ILE . 22.8 mt -85.03 -32.33 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -31.51 70.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -76.34 -47.26 24.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -92.39 118.38 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -54.43 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 43.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.836 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.37 18.37 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.278 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.61 -19.55 6.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -42.57 -31.64 0.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.896 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -46.75 87.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -61.87 -42.7 99.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -41.77 95.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.354 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -28.21 69.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.054 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -68.27 -41.65 80.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.196 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -70.16 -38.59 75.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.732 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.07 -44.18 97.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 p -57.73 -30.58 65.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -70.14 -31.38 68.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.1 mt -77.8 -30.53 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.84 -31.9 72.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -34.01 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.48 106.21 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -86.64 133.91 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 36.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.19 13.35 17.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.424 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -56.77 -18.01 6.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -41.61 -30.98 0.24 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.275 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -51.75 66.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.016 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.0 -40.82 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.277 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.72 -27.17 68.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.245 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -69.64 -41.85 75.06 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.417 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -32.41 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.81 -35.03 79.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -59.98 -31.36 69.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -69.87 -34.72 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.2 mt -80.22 -25.59 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -54.58 -34.5 62.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -95.02 -46.24 6.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.0 117.18 23.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -64.75 164.47 12.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.834 0.349 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.29 35.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.29 16.67 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.22 -20.04 6.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -42.13 -32.27 0.45 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.011 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -47.86 84.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.092 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.7 -42.98 94.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.411 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.53 -28.74 70.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.033 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -43.17 71.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.231 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -29.38 66.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.722 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD1' HD11 ' A' ' 15' ' ' ILE . 9.6 t80 -85.1 8.32 18.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.561 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 p -59.86 -47.6 85.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -59.56 -41.27 89.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.416 HD11 ' CD1' ' A' ' 12' ' ' PHE . 27.2 mt -77.93 -22.15 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -30.06 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -54.99 10.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.83 95.77 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -91.2 -178.34 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.426 0.155 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.17 -18.14 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -41.59 -31.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.237 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -48.17 83.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.79 98.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.6 mt -64.87 -42.65 94.68 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.404 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.94 -26.47 68.83 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.113 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -40.05 75.4 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.244 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.641 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 111.425 0.157 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.4 t -55.84 -19.81 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.09 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -42.37 -31.97 0.47 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.02 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -47.07 86.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.164 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -41.07 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.353 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.83 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.955 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.89 -47.14 66.59 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.121 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 179.516 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttt . . . . . 0 CA--C 1.521 -0.152 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.42 -18.27 6.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -41.44 -31.27 0.24 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.352 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -50.37 71.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.083 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -38.2 90.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.38 -41.92 88.71 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.474 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -62.83 -27.31 69.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.068 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -42.64 72.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.756 179.717 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.63 -19.08 8.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -42.14 -31.32 0.36 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.92 70.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.004 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -37.44 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -42.88 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.406 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.04 -27.05 68.62 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -70.07 -39.44 75.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.795 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt . . . . . 0 CA--C 1.522 -0.13 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.34 -17.29 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CE2' ' HG3' ' A' ' 9' ' ' GLU . 31.8 t80 -42.88 -30.52 0.41 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.231 178.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -61.6 -49.4 76.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.036 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -39.52 94.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -41.14 92.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.363 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 5' ' ' PHE . 3.2 mt-10 -62.04 -28.02 69.3 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.11 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -69.99 -44.68 68.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.306 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.829 179.604 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.378 0.132 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.61 -19.75 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -41.97 -31.99 0.39 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.017 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -59.82 -48.0 83.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.157 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -42.25 98.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.53 -43.15 94.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.461 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.15 -28.44 70.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.955 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -44.0 69.73 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.216 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.826 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 111.374 0.138 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -55.87 -19.43 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -41.95 -31.85 0.38 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.106 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -47.98 83.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.106 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -62.6 -40.38 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.6 -43.24 90.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.426 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.81 -26.94 68.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.088 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -70.08 -41.3 74.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.306 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.716 179.632 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.59 -19.21 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.84 -31.02 0.44 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.96 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.21 90.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.201 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -63.15 -43.03 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt -65.81 -39.21 90.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.163 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -41.34 74.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.3 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.619 . . . . . . . . 0 0 . 1 . 009 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 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.13 -19.22 7.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.54 -32.21 0.53 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.961 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -46.27 88.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.048 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -44.83 93.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.42 91.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.48 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.96 -28.36 69.76 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.864 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.14 -36.14 74.55 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.995 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.68 179.607 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 tptt . . . . . 0 CA--C 1.52 -0.183 0 N-CA-C 111.364 0.135 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.17 -18.77 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -41.55 -32.37 0.35 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.148 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.148 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -62.03 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.482 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.19 -28.09 69.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.073 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -70.08 -41.69 73.76 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.71 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.438 0.161 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.12 -19.51 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.427 ' HA ' HD12 ' A' ' 8' ' ' LEU . 14.6 t80 -42.4 -31.7 0.45 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.257 -1.338 . . . . 0.0 111.019 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.23 -47.28 85.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.114 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -62.34 -42.29 99.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 5' ' ' PHE . 38.0 mt -64.55 -41.31 96.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.386 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -28.22 69.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.166 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -45.12 68.01 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.157 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.73 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 tttp . . . . . 0 CA--C 1.521 -0.153 0 N-CA-C 111.43 0.159 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -56.17 -18.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.089 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -42.73 -31.27 0.45 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.032 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -45.91 91.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -62.61 -44.15 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -40.01 94.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 178.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -28.13 69.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.015 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.21 68.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.175 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.622 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.5 -17.94 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -41.56 -31.2 0.25 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.258 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.47 72.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.029 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -64.22 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.41 91.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.277 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.53 -28.13 68.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.224 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -67.8 -42.89 80.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.319 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 179.607 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 111.336 0.125 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.27 -19.91 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -43.6 -31.19 0.71 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.894 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -44.32 92.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.064 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.67 -46.3 90.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.48 -41.3 96.55 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -27.35 68.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.996 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -70.01 -39.61 75.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.204 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.57 179.585 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.22 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -55.77 -19.53 6.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -43.29 -31.86 0.7 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.835 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -43.87 90.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.082 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.74 88.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.28 -43.18 95.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.433 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.73 -27.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.962 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -37.6 75.52 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.081 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.665 179.575 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 111.363 0.135 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.16 -17.79 6.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -41.12 -31.61 0.21 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.364 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -62.3 -52.04 65.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -43.25 85.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.403 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.89 -27.49 68.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.142 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -43.08 71.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.266 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.669 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 5' ' ' PHE . 11.8 ttmm . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.76 -18.8 5.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 3' ' ' LYS . 8.2 t80 -42.12 -31.21 0.35 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.09 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.63 -47.11 87.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.155 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.23 -42.54 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -39.6 92.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.038 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -68.08 -46.2 71.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.367 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.71 179.656 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.358 0.123 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.61 -19.55 6.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -42.57 -31.64 0.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.896 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -46.75 87.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -61.87 -42.7 99.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -41.77 95.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.354 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -28.21 69.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.054 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -68.27 -41.65 80.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.196 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.732 179.587 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -56.77 -18.01 6.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 9' ' ' GLU . 33.4 t80 -41.61 -30.98 0.24 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.275 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -51.75 66.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.016 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.0 -40.82 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.277 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.417 ' HG2' ' CE2' ' A' ' 5' ' ' PHE . 16.6 mm-40 -61.72 -27.17 68.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.245 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -69.64 -41.85 75.06 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.417 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.214 0 CA-C-O 120.395 0.14 . . . . 0.0 111.327 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.22 -20.04 6.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -42.13 -32.27 0.45 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.011 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -47.86 84.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.092 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.7 -42.98 94.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.411 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.53 -28.74 70.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.033 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -43.17 71.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.231 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.722 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.829 0.347 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -91.97 49.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 16.79 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.299 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.17 -18.14 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -41.59 -31.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.237 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -48.17 83.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.79 98.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.6 mt -64.87 -42.65 94.68 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.404 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.94 -26.47 68.83 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.113 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -40.05 75.4 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.244 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -70.19 -37.74 75.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.82 -24.6 35.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.7 -37.07 65.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -60.6 -35.51 76.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.2 mm -69.37 -32.73 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -31.93 72.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -74.1 -42.65 59.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -95.06 43.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -45.01 39.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.387 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.834 0.35 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -98.47 28.31 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -144.98 17.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.425 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.4 t -55.84 -19.81 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.09 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -42.37 -31.97 0.47 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.02 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -47.07 86.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.164 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -41.07 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.353 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.83 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.955 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.89 -47.14 66.59 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.121 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -70.29 -31.82 69.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -38.68 65.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.97 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -56.92 -39.79 75.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.637 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.2 mm -74.25 -28.54 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.82 -31.06 66.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.86 -44.44 61.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -95.04 115.55 27.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -62.71 121.23 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.361 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 34.39 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -104.86 9.75 34.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.42 -18.27 6.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -41.44 -31.27 0.24 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.352 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -50.37 71.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.083 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -38.2 90.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.38 -41.92 88.71 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.474 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -62.83 -27.31 69.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.068 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -42.64 72.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.0 t -70.13 -32.3 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.756 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.93 -30.03 69.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.1 t -57.99 -34.46 70.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -43.89 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mm -72.86 -25.77 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.237 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -56.19 -38.77 71.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.051 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -67.93 -31.41 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.61 108.41 19.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -91.24 -35.67 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.17 27.75 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.19 16.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.383 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.63 -19.08 8.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -42.14 -31.32 0.36 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.92 70.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.004 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -37.44 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -42.88 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.406 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.04 -27.05 68.62 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -70.07 -39.44 75.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -36.57 74.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.795 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -59.35 -42.52 91.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.0 t -60.14 -31.16 69.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.787 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -31.46 66.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.1 mt -82.37 -27.8 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -39.66 79.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -66.59 -38.04 86.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -71.57 116.51 12.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -35.39 80.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -13.53 18.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.41 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -150.56 16.21 0.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.606 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.34 -17.29 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CE2' ' HG3' ' A' ' 9' ' ' GLU . 31.8 t80 -42.88 -30.52 0.41 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.231 178.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -61.6 -49.4 76.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.036 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -39.52 94.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -41.14 92.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.363 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 5' ' ' PHE . 3.2 mt-10 -62.04 -28.02 69.3 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.11 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -69.99 -44.68 68.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.306 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.1 p -70.14 -28.62 65.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.829 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -56.45 -30.25 62.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -35.9 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -63.72 -32.68 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mm -71.73 -30.56 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.72 -30.91 69.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -92.27 -30.27 15.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.24 -31.99 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -91.48 115.89 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.768 0.318 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 51.78 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.72 18.49 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.306 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.61 -19.75 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -41.97 -31.99 0.39 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.017 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -59.82 -48.0 83.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.157 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -42.25 98.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.53 -43.15 94.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.461 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.15 -28.44 70.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.955 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -44.0 69.73 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.216 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -29.79 66.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.826 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -76.42 -27.77 56.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.6 m -57.71 -52.3 66.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -59.47 -32.0 69.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.595 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mm -75.63 -30.35 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.176 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -30.16 62.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.952 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.09 -31.69 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -89.33 93.99 9.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 134.77 47.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.609 ' HB1' ' HD3' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.781 0.325 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.72 30.62 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.609 ' HD3' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -110.23 17.83 20.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.374 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -55.87 -19.43 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -41.95 -31.85 0.38 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.106 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -47.98 83.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.106 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -62.6 -40.38 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.6 -43.24 90.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.426 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.81 -26.94 68.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.088 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -70.08 -41.3 74.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.306 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p -70.22 -34.78 73.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.716 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -23.47 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.45 -44.93 72.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -62.31 -31.46 72.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mt -84.66 -26.81 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.1 -30.37 59.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -76.93 -31.07 56.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.54 144.37 56.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.98 149.65 21.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 24.53 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.84 16.43 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.484 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.59 -19.21 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.84 -31.02 0.44 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.96 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.21 90.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.201 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -63.15 -43.03 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt -65.81 -39.21 90.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.163 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -41.34 74.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.3 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 t -70.24 -31.92 69.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -59.04 -31.18 68.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -36.05 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -30.45 71.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mt -76.41 -29.67 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -30.9 68.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -70.43 -46.17 64.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.04 132.92 50.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -93.67 124.41 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.828 0.347 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.25 28.21 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.01 17.58 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.322 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.13 -19.22 7.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.54 -32.21 0.53 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.961 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -46.27 88.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.048 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -44.83 93.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.42 91.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.48 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.96 -28.36 69.76 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.864 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.14 -36.14 74.55 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.995 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 m -70.14 -42.07 73.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.68 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -62.39 -44.9 95.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -59.05 -31.06 68.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -35.77 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.476 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 mm -72.81 -30.29 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.07 -33.38 71.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -76.34 -37.15 57.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.92 -55.2 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -95.01 45.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.813 0.34 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -99.94 30.78 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -133.74 13.0 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.364 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.17 -18.77 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -41.55 -32.37 0.35 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.148 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.148 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -62.03 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.482 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.19 -28.09 69.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.073 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -70.08 -41.69 73.76 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -33.96 72.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.71 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -33.41 70.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -59.69 -35.3 74.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -66.02 -27.8 68.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.771 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.4 mt -76.09 -28.9 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -30.13 61.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -31.79 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.68 -32.28 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmpm? -61.18 133.31 55.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.371 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -98.12 36.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 16.68 7.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.12 -19.51 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.427 ' HA ' HD12 ' A' ' 8' ' ' LEU . 14.6 t80 -42.4 -31.7 0.45 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.257 -1.338 . . . . 0.0 111.019 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.23 -47.28 85.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.114 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -62.34 -42.29 99.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 5' ' ' PHE . 38.0 mt -64.55 -41.31 96.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.386 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -28.22 69.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.166 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -45.12 68.01 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.157 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -27.96 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.73 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.21 3.93 28.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.513 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.9 t -56.38 -37.2 69.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.793 0.33 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -61.19 -39.47 90.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.2 mt -82.94 -31.62 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.81 -33.4 74.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -42.14 48.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -80.13 123.52 27.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.97 111.52 5.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.831 0.348 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 37.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -104.17 10.67 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.43 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -56.17 -18.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.089 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -42.73 -31.27 0.45 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.032 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -45.91 91.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -62.61 -44.15 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -40.01 94.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 178.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -28.13 69.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.015 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.21 68.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.175 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 m -70.29 -30.9 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -34.14 77.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.043 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.9 t -57.63 -40.83 80.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -22.09 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.768 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.441 HG23 ' HE3' ' A' ' 19' ' ' LYS . 30.3 mt -80.67 -38.17 17.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.323 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -25.79 68.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -79.93 -37.67 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -75.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HE3' HG23 ' A' ' 15' ' ' ILE . 10.2 ptpt -95.04 127.31 41.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.356 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -99.59 23.54 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -138.0 11.68 2.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.409 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.5 -17.94 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -41.56 -31.2 0.25 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.258 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.47 72.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.029 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -64.22 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.41 91.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.277 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.53 -28.13 68.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.224 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -67.8 -42.89 80.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.319 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 p -70.21 -37.24 75.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -25.81 65.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 t -56.8 -35.04 68.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -30.72 71.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.32 -32.8 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -61.74 -31.71 71.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.6 -31.35 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -79.39 102.97 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 141.2 34.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.858 0.361 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.53 8.73 29.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.383 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.9 15.41 5.8 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.336 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.27 -19.91 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -43.6 -31.19 0.71 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.894 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -44.32 92.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.064 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.67 -46.3 90.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.48 -41.3 96.55 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -27.35 68.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.996 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -70.01 -39.61 75.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.204 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.6 t -70.27 -36.94 74.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.57 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -21.46 65.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.3 p -52.02 -29.42 20.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.836 0.35 . . . . 0.0 111.075 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -63.87 -34.53 78.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.0 mt -75.56 -31.26 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -39.08 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -73.69 -32.22 63.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.13 75.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 143.6 26.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.836 0.351 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 32.61 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.5 17.38 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.418 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -55.77 -19.53 6.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -43.29 -31.86 0.7 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.835 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -43.87 90.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.082 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.74 88.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.28 -43.18 95.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.433 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.73 -27.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.962 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -37.6 75.52 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.081 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.7 t -70.21 -40.81 74.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.665 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.52 -30.25 66.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.2 t -59.5 -44.12 93.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.75 -33.14 74.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mt -81.58 -28.03 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -35.76 73.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -34.2 77.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.09 108.87 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -67.31 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.77 0.319 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -89.71 -5.02 57.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.391 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -130.0 12.41 5.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.363 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.16 -17.79 6.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -41.12 -31.61 0.21 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.364 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -62.3 -52.04 65.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -43.25 85.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.403 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.89 -27.49 68.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.142 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -43.08 71.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.266 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t -70.25 -32.05 69.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -62.58 -40.16 96.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -59.86 -33.47 71.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.78 -32.91 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.8 mt -82.41 -30.78 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -66.67 -31.52 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -31.66 43.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -173.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -58.25 -179.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.368 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.815 0.341 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -100.05 53.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 5' ' ' PHE . 11.8 ttmm -88.3 9.36 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.478 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.76 -18.8 5.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 3' ' ' LYS . 8.2 t80 -42.12 -31.21 0.35 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.09 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.63 -47.11 87.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.155 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.23 -42.54 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -39.6 92.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.038 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -68.08 -46.2 71.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.367 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -70.29 -31.28 68.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.71 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.87 -25.79 64.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.35 -36.29 63.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.048 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -33.97 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.8 mt -85.03 -32.33 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -31.51 70.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -76.34 -47.26 24.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -92.39 118.38 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -54.43 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 43.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.836 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.37 18.37 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.278 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.61 -19.55 6.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -42.57 -31.64 0.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.896 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -46.75 87.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -61.87 -42.7 99.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -41.77 95.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.354 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -28.21 69.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.054 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -68.27 -41.65 80.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.196 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -70.16 -38.59 75.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.732 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.07 -44.18 97.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 p -57.73 -30.58 65.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -70.14 -31.38 68.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.1 mt -77.8 -30.53 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.84 -31.9 72.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -34.01 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.48 106.21 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -86.64 133.91 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 36.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.19 13.35 17.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.424 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -56.77 -18.01 6.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 9' ' ' GLU . 33.4 t80 -41.61 -30.98 0.24 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.275 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -51.75 66.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.016 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.0 -40.82 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.277 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' HG2' ' CE2' ' A' ' 5' ' ' PHE . 16.6 mm-40 -61.72 -27.17 68.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.245 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -69.64 -41.85 75.06 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.417 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -32.41 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.81 -35.03 79.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -59.98 -31.36 69.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -69.87 -34.72 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.2 mt -80.22 -25.59 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -54.58 -34.5 62.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -95.02 -46.24 6.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.0 117.18 23.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -64.75 164.47 12.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.834 0.349 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.29 35.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.29 16.67 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.22 -20.04 6.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -42.13 -32.27 0.45 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.011 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -47.86 84.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.092 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.7 -42.98 94.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.411 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.53 -28.74 70.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.033 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -43.17 71.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.231 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -29.38 66.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.722 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' A' ' 15' ' ' ILE . 9.6 t80 -85.1 8.32 18.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.561 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 p -59.86 -47.6 85.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -59.56 -41.27 89.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 12' ' ' PHE . 27.2 mt -77.93 -22.15 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -30.06 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -54.99 10.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.83 95.77 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -91.2 -178.34 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.426 0.155 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.17 -18.14 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -41.59 -31.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.237 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -48.17 83.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.79 98.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.6 mt -64.87 -42.65 94.68 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.404 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.94 -26.47 68.83 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.113 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -40.05 75.4 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.244 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.641 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt . . . . . 0 CA--C 1.52 -0.182 0 N-CA-C 111.425 0.157 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.4 t -55.84 -19.81 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.09 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -42.37 -31.97 0.47 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.02 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -47.07 86.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.164 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -41.07 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.353 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.83 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.955 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.89 -47.14 66.59 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.121 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 179.516 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttt . . . . . 0 CA--C 1.521 -0.152 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.42 -18.27 6.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -41.44 -31.27 0.24 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.352 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -50.37 71.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.083 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -38.2 90.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.38 -41.92 88.71 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.474 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -62.83 -27.31 69.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.068 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -42.64 72.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.756 179.717 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.63 -19.08 8.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -42.14 -31.32 0.36 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.92 70.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.004 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -37.44 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -42.88 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.406 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.04 -27.05 68.62 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -70.07 -39.44 75.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.795 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt . . . . . 0 CA--C 1.522 -0.13 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.34 -17.29 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CE2' ' HG3' ' A' ' 9' ' ' GLU . 31.8 t80 -42.88 -30.52 0.41 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.231 178.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -61.6 -49.4 76.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.036 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -39.52 94.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -41.14 92.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.363 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 5' ' ' PHE . 3.2 mt-10 -62.04 -28.02 69.3 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.11 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -69.99 -44.68 68.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.306 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.829 179.604 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.378 0.132 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.61 -19.75 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -41.97 -31.99 0.39 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.017 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -59.82 -48.0 83.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.157 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -42.25 98.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.53 -43.15 94.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.461 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.15 -28.44 70.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.955 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -44.0 69.73 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.216 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.826 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 111.374 0.138 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -55.87 -19.43 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -41.95 -31.85 0.38 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.106 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -47.98 83.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.106 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -62.6 -40.38 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.6 -43.24 90.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.426 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.81 -26.94 68.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.088 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -70.08 -41.3 74.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.306 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.716 179.632 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.59 -19.21 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.84 -31.02 0.44 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.96 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.21 90.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.201 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -63.15 -43.03 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt -65.81 -39.21 90.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.163 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -41.34 74.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.3 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.619 . . . . . . . . 0 0 . 1 . 009 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 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.13 -19.22 7.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.54 -32.21 0.53 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.961 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -46.27 88.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.048 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -44.83 93.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.42 91.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.48 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.96 -28.36 69.76 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.864 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.14 -36.14 74.55 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.995 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.68 179.607 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 tptt . . . . . 0 CA--C 1.52 -0.183 0 N-CA-C 111.364 0.135 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.17 -18.77 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -41.55 -32.37 0.35 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.148 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.148 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -62.03 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.482 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.19 -28.09 69.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.073 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -70.08 -41.69 73.76 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.71 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.438 0.161 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.12 -19.51 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.427 ' HA ' HD12 ' A' ' 8' ' ' LEU . 14.6 t80 -42.4 -31.7 0.45 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.257 -1.338 . . . . 0.0 111.019 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.23 -47.28 85.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.114 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -62.34 -42.29 99.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 5' ' ' PHE . 38.0 mt -64.55 -41.31 96.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.386 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -28.22 69.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.166 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -45.12 68.01 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.157 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.73 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 tttp . . . . . 0 CA--C 1.521 -0.153 0 N-CA-C 111.43 0.159 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -56.17 -18.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.089 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -42.73 -31.27 0.45 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.032 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -45.91 91.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -62.61 -44.15 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -40.01 94.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 178.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -28.13 69.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.015 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.21 68.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.175 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.622 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.5 -17.94 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -41.56 -31.2 0.25 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.258 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.47 72.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.029 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -64.22 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.41 91.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.277 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.53 -28.13 68.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.224 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -67.8 -42.89 80.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.319 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 179.607 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 111.336 0.125 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.27 -19.91 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -43.6 -31.19 0.71 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.894 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -44.32 92.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.064 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.67 -46.3 90.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.48 -41.3 96.55 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -27.35 68.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.996 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -70.01 -39.61 75.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.204 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.57 179.585 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.22 0 N-CA-C 111.418 0.155 . . . . 0.0 111.418 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -55.77 -19.53 6.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -43.29 -31.86 0.7 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.835 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -43.87 90.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.082 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.74 88.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.28 -43.18 95.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.433 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.73 -27.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.962 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -37.6 75.52 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.081 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.665 179.575 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm . . . . . 0 CA--C 1.52 -0.193 0 N-CA-C 111.363 0.135 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.16 -17.79 6.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -41.12 -31.61 0.21 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.364 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -62.3 -52.04 65.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -43.25 85.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.403 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.89 -27.49 68.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.142 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -43.08 71.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.266 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.669 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 5' ' ' PHE . 11.8 ttmm . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.76 -18.8 5.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 3' ' ' LYS . 8.2 t80 -42.12 -31.21 0.35 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.09 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.63 -47.11 87.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.155 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.23 -42.54 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -39.6 92.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.038 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -68.08 -46.2 71.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.367 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.71 179.656 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.358 0.123 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.61 -19.55 6.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -42.57 -31.64 0.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.896 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -46.75 87.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -61.87 -42.7 99.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -41.77 95.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.354 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -28.21 69.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.054 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -68.27 -41.65 80.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.196 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.732 179.587 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -56.77 -18.01 6.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 9' ' ' GLU . 33.4 t80 -41.61 -30.98 0.24 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.275 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -51.75 66.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.016 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.0 -40.82 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.277 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.417 ' HG2' ' CE2' ' A' ' 5' ' ' PHE . 16.6 mm-40 -61.72 -27.17 68.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.245 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -69.64 -41.85 75.06 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.417 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.214 0 CA-C-O 120.395 0.14 . . . . 0.0 111.327 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.22 -20.04 6.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -42.13 -32.27 0.45 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.011 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -47.86 84.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.092 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.7 -42.98 94.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.411 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.53 -28.74 70.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.033 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -43.17 71.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.231 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.722 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.829 0.347 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -91.97 49.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 16.79 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.299 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.17 -18.14 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -41.59 -31.48 0.28 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.237 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -48.17 83.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.79 98.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.6 mt -64.87 -42.65 94.68 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.404 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.94 -26.47 68.83 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.113 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.03 -40.05 75.4 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.244 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -70.19 -37.74 75.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.757 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.82 -24.6 35.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.7 -37.07 65.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -60.6 -35.51 76.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.2 mm -69.37 -32.73 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -31.93 72.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -74.1 -42.65 59.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -95.06 43.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -45.01 39.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.387 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.834 0.35 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -98.47 28.31 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -144.98 17.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.425 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.4 t -55.84 -19.81 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.09 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -42.37 -31.97 0.47 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.02 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -47.07 86.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.164 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -41.07 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.353 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.83 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.955 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.89 -47.14 66.59 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.121 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -70.29 -31.82 69.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.727 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -38.68 65.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.97 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -56.92 -39.79 75.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.637 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.2 mm -74.25 -28.54 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.82 -31.06 66.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -72.86 -44.44 61.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -95.04 115.55 27.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -62.71 121.23 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.361 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.785 0.326 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 34.39 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -104.86 9.75 34.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.42 -18.27 6.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -41.44 -31.27 0.24 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.352 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -50.37 71.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.083 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -38.2 90.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.38 -41.92 88.71 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.474 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -62.83 -27.31 69.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.068 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -42.64 72.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.332 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.0 t -70.13 -32.3 70.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.756 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.93 -30.03 69.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.1 t -57.99 -34.46 70.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -43.89 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mm -72.86 -25.77 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.237 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -56.19 -38.77 71.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.051 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -67.93 -31.41 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.61 108.41 19.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -91.24 -35.67 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.17 27.75 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.19 16.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.383 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.63 -19.08 8.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -42.14 -31.32 0.36 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.92 70.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.004 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -37.44 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.9 -42.88 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.406 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.04 -27.05 68.62 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -70.07 -39.44 75.63 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -36.57 74.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.795 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -59.35 -42.52 91.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.0 t -60.14 -31.16 69.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.787 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -31.46 66.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.1 mt -82.37 -27.8 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -39.66 79.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -66.59 -38.04 86.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -71.57 116.51 12.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -35.39 80.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -13.53 18.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.41 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -150.56 16.21 0.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.606 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.34 -17.29 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CE2' ' HG3' ' A' ' 9' ' ' GLU . 31.8 t80 -42.88 -30.52 0.41 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.231 178.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -61.6 -49.4 76.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.036 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -39.52 94.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -41.14 92.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.363 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 5' ' ' PHE . 3.2 mt-10 -62.04 -28.02 69.3 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.11 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -69.99 -44.68 68.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.306 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.1 p -70.14 -28.62 65.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.829 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -56.45 -30.25 62.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -35.9 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -63.72 -32.68 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mm -71.73 -30.56 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.72 -30.91 69.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -92.27 -30.27 15.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.24 -31.99 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -91.48 115.89 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.768 0.318 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 51.78 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.72 18.49 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.306 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.61 -19.75 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -41.97 -31.99 0.39 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.251 -1.341 . . . . 0.0 111.017 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -59.82 -48.0 83.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.157 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -42.25 98.65 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.53 -43.15 94.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.461 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.15 -28.44 70.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.955 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.16 -44.0 69.73 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.216 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -29.79 66.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.826 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -76.42 -27.77 56.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.6 m -57.71 -52.3 66.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -59.47 -32.0 69.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.595 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mm -75.63 -30.35 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.176 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -30.16 62.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.952 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.09 -31.69 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -89.33 93.99 9.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 134.77 47.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.609 ' HB1' ' HD3' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.781 0.325 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.72 30.62 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.609 ' HD3' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -110.23 17.83 20.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.374 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -55.87 -19.43 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -41.95 -31.85 0.38 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.106 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -47.98 83.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.106 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -62.6 -40.38 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.6 -43.24 90.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.426 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.81 -26.94 68.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.088 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -70.08 -41.3 74.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.306 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p -70.22 -34.78 73.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.716 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -23.47 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.45 -44.93 72.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -62.31 -31.46 72.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mt -84.66 -26.81 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.246 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.1 -30.37 59.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -76.93 -31.07 56.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.54 144.37 56.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.98 149.65 21.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 24.53 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.84 16.43 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.484 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.59 -19.21 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.103 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.84 -31.02 0.44 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.96 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.21 90.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.201 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -63.15 -43.03 99.47 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt -65.81 -39.21 90.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.163 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -41.34 74.33 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.3 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 t -70.24 -31.92 69.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -59.04 -31.18 68.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -36.05 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -30.45 71.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mt -76.41 -29.67 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -30.9 68.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -70.43 -46.17 64.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.04 132.92 50.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -93.67 124.41 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.828 0.347 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.25 28.21 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.01 17.58 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.322 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.13 -19.22 7.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -42.54 -32.21 0.53 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.246 -1.343 . . . . 0.0 110.961 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -46.27 88.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.048 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -44.83 93.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.42 91.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.48 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.96 -28.36 69.76 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.864 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.14 -36.14 74.55 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.995 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 m -70.14 -42.07 73.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.68 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -62.39 -44.9 95.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -59.05 -31.06 68.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -35.77 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.476 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 mm -72.81 -30.29 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.07 -33.38 71.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -76.34 -37.15 57.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.92 -55.2 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -95.01 45.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.813 0.34 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -99.94 30.78 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -133.74 13.0 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.364 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.17 -18.77 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -41.55 -32.37 0.35 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.148 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -48.29 82.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.148 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -62.03 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.93 -42.87 94.31 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.482 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.19 -28.09 69.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.073 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -70.08 -41.69 73.76 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -33.96 72.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.71 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -33.41 70.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -59.69 -35.3 74.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -66.02 -27.8 68.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.771 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.4 mt -76.09 -28.9 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -30.13 61.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -31.79 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.68 -32.28 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmpm? -61.18 133.31 55.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.371 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -98.12 36.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 16.68 7.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.12 -19.51 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.104 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.427 ' HA ' HD12 ' A' ' 8' ' ' LEU . 14.6 t80 -42.4 -31.7 0.45 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.257 -1.338 . . . . 0.0 111.019 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.23 -47.28 85.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.114 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -62.34 -42.29 99.27 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 5' ' ' PHE . 38.0 mt -64.55 -41.31 96.4 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.386 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -28.22 69.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.166 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -45.12 68.01 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.157 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -27.96 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.73 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.21 3.93 28.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.513 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.9 t -56.38 -37.2 69.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.793 0.33 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -61.19 -39.47 90.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.2 mt -82.94 -31.62 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.81 -33.4 74.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -42.14 48.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -80.13 123.52 27.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.97 111.52 5.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.831 0.348 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 37.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -104.17 10.67 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.43 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -56.17 -18.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.089 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -42.73 -31.27 0.45 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.032 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -45.91 91.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -62.61 -44.15 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -40.01 94.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 178.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -28.13 69.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.015 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.21 68.98 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.175 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 m -70.29 -30.9 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.764 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -34.14 77.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.043 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.9 t -57.63 -40.83 80.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -22.09 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.768 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.441 HG23 ' HE3' ' A' ' 19' ' ' LYS . 30.3 mt -80.67 -38.17 17.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.323 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -25.79 68.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -79.93 -37.67 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -75.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HE3' HG23 ' A' ' 15' ' ' ILE . 10.2 ptpt -95.04 127.31 41.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.356 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -99.59 23.54 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -138.0 11.68 2.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.409 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.5 -17.94 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -41.56 -31.2 0.25 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.258 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -50.47 72.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.029 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -64.22 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -41.41 91.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.277 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -60.53 -28.13 68.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.224 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -67.8 -42.89 80.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.319 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 p -70.21 -37.24 75.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -25.81 65.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 t -56.8 -35.04 68.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -30.72 71.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.32 -32.8 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -61.74 -31.71 71.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.6 -31.35 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -79.39 102.97 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 141.2 34.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.858 0.361 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.53 8.73 29.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.383 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.9 15.41 5.8 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.336 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.27 -19.91 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -43.6 -31.19 0.71 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.894 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -44.32 92.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.064 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.67 -46.3 90.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.48 -41.3 96.55 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -27.35 68.99 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.996 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -70.01 -39.61 75.72 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.204 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.6 t -70.27 -36.94 74.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.57 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -21.46 65.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.3 p -52.02 -29.42 20.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.836 0.35 . . . . 0.0 111.075 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -63.87 -34.53 78.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.0 mt -75.56 -31.26 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -39.08 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -73.69 -32.22 63.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.13 75.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 143.6 26.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.836 0.351 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 32.61 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.5 17.38 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.418 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -55.77 -19.53 6.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.153 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -43.29 -31.86 0.7 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.835 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -43.87 90.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.082 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -46.74 88.43 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.28 -43.18 95.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.433 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.73 -27.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.962 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -37.6 75.52 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.081 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.7 t -70.21 -40.81 74.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.665 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.52 -30.25 66.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.2 t -59.5 -44.12 93.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.75 -33.14 74.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mt -81.58 -28.03 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -35.76 73.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -34.2 77.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.09 108.87 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -67.31 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.373 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.77 0.319 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -89.71 -5.02 57.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.391 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -130.0 12.41 5.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.363 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.16 -17.79 6.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -41.12 -31.61 0.21 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.364 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -62.3 -52.04 65.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.19 83.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -43.25 85.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.403 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.89 -27.49 68.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.142 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -43.08 71.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.266 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t -70.25 -32.05 69.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.8 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -62.58 -40.16 96.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -59.86 -33.47 71.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.78 -32.91 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.8 mt -82.41 -30.78 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -66.67 -31.52 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -31.66 43.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -173.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -58.25 -179.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.368 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.815 0.341 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -100.05 53.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 5' ' ' PHE . 11.8 ttmm -88.3 9.36 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.478 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.76 -18.8 5.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 3' ' ' LYS . 8.2 t80 -42.12 -31.21 0.35 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.09 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.63 -47.11 87.66 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.155 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.23 -42.54 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -39.6 92.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -28.0 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.038 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -68.08 -46.2 71.7 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.367 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -70.29 -31.28 68.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.71 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.87 -25.79 64.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.35 -36.29 63.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.048 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -33.97 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.8 mt -85.03 -32.33 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -31.51 70.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -76.34 -47.26 24.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -92.39 118.38 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -54.43 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 43.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.836 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.37 18.37 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.278 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.61 -19.55 6.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -42.57 -31.64 0.47 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.896 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -46.75 87.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.083 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -61.87 -42.7 99.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -41.77 95.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.354 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -28.21 69.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.054 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -68.27 -41.65 80.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.196 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -70.16 -38.59 75.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.732 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.07 -44.18 97.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 p -57.73 -30.58 65.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -70.14 -31.38 68.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.1 mt -77.8 -30.53 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.84 -31.9 72.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -34.01 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.48 106.21 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -86.64 133.91 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 36.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.19 13.35 17.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.424 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -56.77 -18.01 6.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 9' ' ' GLU . 33.4 t80 -41.61 -30.98 0.24 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.275 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -51.75 66.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.016 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.0 -40.82 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.277 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' HG2' ' CE2' ' A' ' 5' ' ' PHE . 16.6 mm-40 -61.72 -27.17 68.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.245 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -69.64 -41.85 75.06 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.417 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -32.41 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.79 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.81 -35.03 79.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -59.98 -31.36 69.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -69.87 -34.72 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.2 mt -80.22 -25.59 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -54.58 -34.5 62.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -95.02 -46.24 6.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.0 117.18 23.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -64.75 164.47 12.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.834 0.349 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.29 35.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.29 16.67 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.22 -20.04 6.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -42.13 -32.27 0.45 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.213 -1.358 . . . . 0.0 111.011 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -47.86 84.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.092 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.7 -42.98 94.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.411 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.53 -28.74 70.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.033 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -43.17 71.61 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.231 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -29.38 66.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.722 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' A' ' 15' ' ' ILE . 9.6 t80 -85.1 8.32 18.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.561 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 p -59.86 -47.6 85.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -59.56 -41.27 89.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 12' ' ' PHE . 27.2 mt -77.93 -22.15 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -30.06 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -54.99 10.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.83 95.77 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -91.2 -178.34 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_