data_1d9o_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 1d9o _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 full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.347 0.594 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.557 ' CB ' ' CD1' ' A' ' 8' ' ' ILE . . . -89.12 57.74 4.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.26 -0.9 . . . . 0.0 110.077 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -138.76 49.64 1.87 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 110.305 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 4' ' ' LEU . 27.1 mt -132.42 -80.21 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.845 . . . . 0.0 109.887 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.2 -156.47 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.858 -0.526 . . . . 0.0 109.881 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.458 ' HG3' ' HG3' ' A' ' 7' ' ' LYS . 7.0 ptpp? -134.11 27.88 3.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.184 -0.947 . . . . 0.0 110.228 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HG3' ' HG3' ' A' ' 6' ' ' LYS . 39.8 mttt -144.87 109.19 4.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.957 . . . . 0.0 110.044 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.557 ' CD1' ' CB ' ' A' ' 2' ' ' ALA . 2.3 mt -127.69 -26.07 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.197 -0.939 . . . . 0.0 110.513 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.33 -2.45 50.87 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -115.87 -5.96 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.24 -1.153 . . . . 0.0 110.688 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -104.46 -14.85 22.82 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -30.61 69.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -1.052 . . . . 0.0 110.115 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.94 -67.99 0.39 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.257 -0.902 . . . . 0.0 110.018 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.3 mt -52.1 -25.94 9.97 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.586 0.708 . . . . 0.0 109.717 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 9.9 t-80 -76.46 -54.06 7.25 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.581 -0.699 . . . . 0.0 109.623 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 19' ' ' LYS . 3.5 m -62.0 -38.03 87.09 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.664 0.745 . . . . 0.0 109.705 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.46 -54.38 44.51 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.706 -0.621 . . . . 0.0 109.896 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.47 -17.67 61.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.208 -0.932 . . . . 0.0 109.976 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -60.82 -61.59 2.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.597 -0.689 . . . . 0.0 109.828 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.527 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 2.5 t80 -83.53 85.84 7.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.51 -0.744 . . . . 0.0 109.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.194 0.521 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.84 115.97 31.44 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.235 -0.916 . . . . 0.0 110.256 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -150.86 120.4 6.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.929 . . . . 0.0 110.271 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 1.9 pt? -133.49 14.97 4.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.171 -0.955 . . . . 0.0 110.338 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -91.55 29.66 1.46 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.145 -0.972 . . . . 0.0 109.834 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.86 67.38 1.16 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.418 -0.801 . . . . 0.0 110.185 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 148.47 40.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.118 -0.989 . . . . 0.0 110.564 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.446 HD11 HG22 ' A' ' 8' ' ' ILE . 4.1 mt -127.0 -57.28 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.86 . . . . 0.0 109.796 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.84 -32.67 4.48 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.0 mt -94.46 -5.06 10.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 121.392 -1.063 . . . . 0.0 110.151 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.92 -56.15 7.43 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -81.7 7.26 12.9 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.678 -0.895 . . . . 0.0 110.382 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.9 t80 -57.99 -51.85 67.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.893 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.66 -15.62 63.21 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-O 121.419 0.628 . . . . 0.0 110.433 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -82.1 -61.32 1.94 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.411 -0.806 . . . . 0.0 110.023 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -11.94 15.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.603 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 13' ' ' PHE . . . -77.2 -56.57 4.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.525 -0.734 . . . . 0.0 109.85 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -69.08 -6.99 31.73 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.27 -0.894 . . . . 0.0 110.053 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -67.33 0.8 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.422 -0.799 . . . . 0.0 110.228 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -82.97 132.31 35.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 110.36 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.0 tptt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.202 0.525 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.3 55.4 5.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.885 . . . . 0.0 109.984 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -141.88 144.7 33.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -0.89 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -148.91 40.07 0.88 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.871 . . . . 0.0 110.211 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -22.06 36.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 110.143 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -134.14 43.55 2.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.948 . . . . 0.0 110.19 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.5 86.18 1.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.14 -0.975 . . . . 0.0 110.392 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 8' ' ' ILE . 2.9 mt -126.64 -28.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 0.0 110.207 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.15 -21.66 11.86 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.075 -1.61 . . . . 0.0 109.075 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.451 HD13 HG21 ' A' ' 10' ' ' ILE . 8.0 mm -95.95 -12.7 8.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.658 -0.907 . . . . 0.0 109.613 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.45 -34.97 9.8 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -82.65 -19.56 37.97 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.734 -0.862 . . . . 0.0 109.133 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -39.26 82.59 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 121.991 0.9 . . . . 0.0 109.264 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.87 -21.97 66.7 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.832 0.825 . . . . 0.0 109.237 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -68.75 -55.48 11.16 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.661 0.743 . . . . 0.0 109.157 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -18.58 58.54 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.729 0.776 . . . . 0.0 109.408 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -39.02 70.19 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.632 -0.668 . . . . 0.0 109.372 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -13.24 59.53 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.662 0.744 . . . . 0.0 109.485 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.45 -34.0 58.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.553 -0.717 . . . . 0.0 109.657 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -115.96 136.8 52.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.39 -0.819 . . . . 0.0 110.209 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.858 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.303 0.573 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.8 -178.98 3.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.21 -0.931 . . . . 0.0 110.414 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 3.6 ptmt -136.39 112.34 9.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.272 -0.892 . . . . 0.0 110.255 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.58 20.43 1.5 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.234 -0.916 . . . . 0.0 110.274 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.26 151.92 24.5 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.228 -0.92 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -131.55 48.19 2.45 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 110.588 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -177.23 162.18 1.92 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -0.927 . . . . 0.0 110.005 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.24 -50.81 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.113 -0.992 . . . . 0.0 110.567 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.83 -51.62 4.1 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.462 HD11 HG23 ' A' ' 10' ' ' ILE . 23.2 mm -76.94 -22.94 14.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 121.741 -0.858 . . . . 0.0 109.359 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.52 -15.35 27.52 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.671 -1.771 . . . . 0.0 108.671 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.76 -40.88 94.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.61 -0.935 . . . . 0.0 109.635 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.56 -45.01 94.91 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 122.037 0.922 . . . . 0.0 108.903 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -18.21 59.59 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-O 121.707 0.765 . . . . 0.0 109.423 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -84.37 -55.1 4.34 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.67 -0.644 . . . . 0.0 109.535 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -72.33 -9.39 58.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.35 -0.844 . . . . 0.0 109.669 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.31 -59.26 2.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.482 -0.761 . . . . 0.0 109.575 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -8.32 52.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.309 -0.869 . . . . 0.0 109.762 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.51 -69.49 0.66 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.476 -0.765 . . . . 0.0 110.302 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -72.09 -50.83 25.02 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.341 -0.85 . . . . 0.0 110.328 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.781 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.296 0.57 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.26 58.96 0.57 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.297 -0.877 . . . . 0.0 110.156 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.444 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 2.8 tttm -146.19 -171.69 3.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' HG ' ' C ' ' A' ' 3' ' ' LYS . 1.5 mt -130.51 19.98 5.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -166.2 0.56 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.463 -0.773 . . . . 0.0 110.44 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -162.04 -41.28 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.453 -0.779 . . . . 0.0 109.857 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.12 169.12 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.391 -0.818 . . . . 0.0 109.879 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.63 -17.08 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.124 -0.985 . . . . 0.0 110.719 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.55 -21.01 40.61 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.846 -1.701 . . . . 0.0 108.846 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.473 HD13 HG23 ' A' ' 10' ' ' ILE . 10.3 mt -108.92 -6.89 11.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.644 -0.915 . . . . 0.0 109.862 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.432 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -51.48 -47.3 51.68 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -77.34 -4.61 45.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.743 -0.857 . . . . 0.0 109.824 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.467 ' CB ' HG21 ' A' ' 10' ' ' ILE . 2.0 t80 -70.54 -65.53 0.72 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.812 0.815 . . . . 0.0 110.174 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HG ' ' N ' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -59.81 -16.06 25.43 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.588 0.709 . . . . 0.0 110.25 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.491 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 6.8 t-80 -69.98 -64.4 0.89 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.504 -0.748 . . . . 0.0 109.56 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 p -64.96 -13.41 57.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.192 -0.943 . . . . 0.0 109.437 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.37 -46.26 80.84 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.529 -0.732 . . . . 0.0 109.089 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -74.26 -20.93 59.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.421 -0.799 . . . . 0.0 109.278 179.079 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -72.97 0.46 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.654 -0.654 . . . . 0.0 110.158 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -43.34 8.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.24 -0.912 . . . . 0.0 110.152 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.818 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.219 0.533 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.39 -171.29 0.11 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.314 -0.866 . . . . 0.0 110.432 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 51.7 mttm -132.26 73.25 1.52 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.333 -0.855 . . . . 0.0 109.953 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 3' ' ' LYS . 1.2 mp -139.44 48.0 1.86 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.394 -0.816 . . . . 0.0 109.861 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -84.29 31.87 0.5 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.317 -0.864 . . . . 0.0 110.758 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.65 49.8 1.22 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.088 -1.007 . . . . 0.0 110.121 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -154.65 122.5 5.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 110.408 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.95 -55.81 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 0.0 110.189 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.4 -4.36 26.99 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.9 mt -105.5 -6.35 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -1.104 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -56.81 -22.36 40.59 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HA ' ' HB2' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -64.77 -34.1 77.54 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.426 -1.044 . . . . 0.0 109.971 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.11 -62.83 1.41 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.872 0.844 . . . . 0.0 110.035 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.1 mt -73.06 0.11 12.38 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.314 0.578 . . . . 0.0 110.406 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 2.9 t-80 -74.79 -60.6 2.21 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.165 -0.959 . . . . 0.0 109.973 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -6.31 50.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 0.0 109.866 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . . . -77.52 -49.2 15.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.834 . . . . 0.0 110.071 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -81.41 -17.12 49.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.167 -0.958 . . . . 0.0 109.879 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -74.37 -35.15 63.52 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.567 0.699 . . . . 0.0 109.842 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -89.29 36.05 0.82 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.604 -0.685 . . . . 0.0 110.357 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.918 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.247 0.546 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.6 172.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 0.0 109.936 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 60.17 1.62 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 110.147 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.57 4.73 2.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.277 -0.89 . . . . 0.0 110.358 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -52.34 150.1 5.03 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.194 -0.941 . . . . 0.0 109.992 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -150.69 71.41 1.04 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 110.314 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.48 98.1 3.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.233 -0.917 . . . . 0.0 110.361 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.413 HG22 HD12 ' A' ' 8' ' ' ILE . 1.8 mt -139.13 -61.75 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.221 -0.924 . . . . 0.0 110.161 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.12 -0.09 60.16 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.65 -10.67 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.243 . . . . 0.0 110.147 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.2 -40.59 8.47 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 9.08 15.66 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.615 -0.932 . . . . 0.0 109.896 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.49 -100.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.432 -0.793 . . . . 0.0 110.879 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.68 -4.54 12.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.132 -0.98 . . . . 0.0 110.738 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.7 t-80 -63.65 -54.99 27.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.12 -0.987 . . . . 0.0 109.371 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.5 p -68.52 -4.52 15.43 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.395 -0.816 . . . . 0.0 110.384 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.48 -51.03 8.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.152 -0.967 . . . . 0.0 110.322 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -23.96 24.29 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.152 -0.968 . . . . 0.0 110.344 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -80.45 -34.8 35.71 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.411 -0.806 . . . . 0.0 109.932 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -116.34 89.1 3.03 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.28 -0.887 . . . . 0.0 110.145 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.247 0.546 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.63 98.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.33 -0.857 . . . . 0.0 110.628 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -163.09 117.96 1.71 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.903 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -134.48 0.95 3.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 110.512 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.89 76.94 0.12 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 109.908 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -135.54 1.87 2.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.327 -0.858 . . . . 0.0 110.563 -179.539 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.97 -162.64 0.22 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 0.0 110.823 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mt -126.43 -41.55 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.607 -0.683 . . . . 0.0 109.65 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.03 -31.68 4.94 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 10' ' ' ILE . 4.0 mm -93.04 -13.31 8.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 O-C-N 121.413 -1.051 . . . . 0.0 110.124 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.86 -9.13 62.18 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -85.36 -50.16 7.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.36 -1.083 . . . . 0.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 17' ' ' ALA . 7.3 t80 -60.04 -54.26 48.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.225 -0.922 . . . . 0.0 110.587 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 2.5 mt -47.76 -23.69 0.78 Allowed 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.683 0.754 . . . . 0.0 109.705 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.92 -57.2 3.52 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.488 0.661 . . . . 0.0 109.335 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -69.84 -15.58 63.12 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.21 -0.931 . . . . 0.0 109.467 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' PHE . . . -75.1 -44.63 46.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.641 -0.662 . . . . 0.0 109.314 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 10.6 mtpt -78.53 -8.36 58.49 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.489 -0.757 . . . . 0.0 109.783 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -63.55 1.39 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 110.434 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -91.29 -56.87 2.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.021 -1.049 . . . . 0.0 110.315 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.774 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.125 0.488 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.409 ' C ' ' HG2' ' A' ' 3' ' ' LYS . . . -120.75 54.11 1.09 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 110.186 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' O ' ' NZ ' ' A' ' 7' ' ' LYS . 5.2 mmmt -134.43 155.23 50.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.32 -0.862 . . . . 0.0 110.091 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 3' ' ' LYS . 24.3 mt -131.24 9.58 4.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.186 -0.946 . . . . 0.0 110.233 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -87.31 24.63 1.56 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 110.45 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -158.32 38.26 0.24 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.176 -0.952 . . . . 0.0 110.453 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 26.6 mtmt -151.95 74.91 1.12 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.123 -0.986 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mt -126.58 -63.3 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 109.854 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.97 -17.04 57.06 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mt -116.39 -6.99 12.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.347 -1.09 . . . . 0.0 110.148 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' O ' HD13 ' A' ' 14' ' ' LEU . . . -102.02 -82.44 1.65 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HA ' ' CB ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -37.31 -31.48 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.892 -0.769 . . . . 0.0 111.025 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' GLY . 3.6 t80 -44.94 -86.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.07 -1.019 . . . . 0.0 110.045 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.583 HD13 ' N ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -70.68 2.15 4.47 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.543 -0.723 . . . . 0.0 110.994 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.583 ' N ' HD13 ' A' ' 14' ' ' LEU . 2.1 t-80 -63.48 -54.03 42.76 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.0 -1.062 . . . . 0.0 109.431 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 p -63.11 -20.51 65.43 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.678 0.751 . . . . 0.0 109.835 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.05 -46.04 31.18 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.509 0.671 . . . . 0.0 109.265 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 2.2 tttm -74.31 -15.54 60.95 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.43 -0.794 . . . . 0.0 109.593 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -32.81 54.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.598 -0.689 . . . . 0.0 109.655 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -115.76 36.39 4.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.464 -0.773 . . . . 0.0 110.175 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.934 0.397 . . . . 0.0 110.053 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 1' ' ' LYS . . . 178.43 108.39 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.955 -1.091 . . . . 0.0 110.376 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.44 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 10.3 mtpt -136.19 176.41 8.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.377 -0.827 . . . . 0.0 109.892 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' HG ' ' C ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -137.97 42.83 2.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.04 -1.038 . . . . 0.0 110.791 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -50.1 42.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.912 -1.117 . . . . 0.0 109.248 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 7.8 tttt -130.64 20.8 5.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.331 -0.856 . . . . 0.0 109.61 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -134.66 141.18 46.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.445 -0.784 . . . . 0.0 109.816 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.65 -59.74 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.095 -1.003 . . . . 0.0 111.095 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.47 -11.74 26.51 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.464 HG22 ' HB2' ' A' ' 13' ' ' PHE . 17.4 mt -93.08 -4.31 10.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 121.395 -1.062 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -48.4 -23.58 3.15 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -5.93 48.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.384 -1.068 . . . . 0.0 109.876 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.464 ' HB2' HG22 ' A' ' 10' ' ' ILE . 81.5 t80 -53.71 -68.43 0.18 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.153 0.978 . . . . 0.0 110.272 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -23.98 0.41 Allowed 'General case' 0 C--N 1.291 -1.955 0 CA-C-O 121.668 0.746 . . . . 0.0 109.834 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.1 t-80 -81.94 -55.88 4.31 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.574 -0.704 . . . . 0.0 109.891 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.3 m -68.8 -20.83 64.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.185 -0.947 . . . . 0.0 109.815 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.23 -54.55 12.3 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.675 -0.64 . . . . 0.0 109.488 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -74.84 -4.5 38.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.426 -0.796 . . . . 0.0 109.869 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 24.9 tttm -75.91 -60.04 2.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.831 . . . . 0.0 110.477 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -83.12 -19.07 37.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.364 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.203 0.525 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.95 -171.53 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.201 -0.937 . . . . 0.0 110.192 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 2.1 ptmm? -171.18 128.93 0.72 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 0.0 110.182 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.416 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.1 pp -161.05 46.45 0.2 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 110.273 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -77.54 149.18 34.94 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.181 -0.95 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -148.13 71.69 1.18 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.132 -0.98 . . . . 0.0 110.354 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HE3' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -131.92 -162.49 1.23 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.267 -0.896 . . . . 0.0 110.26 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 8' ' ' ILE . 4.8 mt -126.85 -3.85 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.397 -0.815 . . . . 0.0 110.651 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -40.8 -73.58 0.19 Allowed Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.45 HD11 ' HE3' ' A' ' 7' ' ' LYS . 1.2 mp -70.23 -5.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 O-C-N 121.688 -0.889 . . . . 0.0 110.223 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.59 -7.05 67.98 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -85.53 -42.99 13.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.181 -1.188 . . . . 0.0 110.223 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.75 -63.67 1.06 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.266 -0.896 . . . . 0.0 110.543 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 28.6 mt -56.04 -17.35 6.67 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.547 0.689 . . . . 0.0 110.144 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.519 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 5.2 t-80 -63.83 -58.5 6.62 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.611 -0.681 . . . . 0.0 109.939 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -9.0 51.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . . . -67.24 -55.61 13.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.483 -0.761 . . . . 0.0 109.525 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -80.7 -12.87 59.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 0.0 109.856 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -58.34 2.85 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.479 -0.763 . . . . 0.0 109.921 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -81.84 -179.78 7.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.913 . . . . 0.0 110.325 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' ALA . 2.7 tttp . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.177 0.513 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 1' ' ' LYS . . . 61.29 120.28 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 0.0 110.491 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -133.48 169.32 17.13 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.214 -0.929 . . . . 0.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.77 16.31 4.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.22 -0.925 . . . . 0.0 110.5 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.99 77.34 2.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.286 -0.884 . . . . 0.0 110.037 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.35 57.2 0.94 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.141 -0.974 . . . . 0.0 110.596 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 1.1 pttm -140.88 107.63 5.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.315 -0.866 . . . . 0.0 109.489 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.46 HG22 ' HB2' ' A' ' 12' ' ' LYS . 4.9 mt -127.22 -31.96 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.272 -0.892 . . . . 0.0 110.488 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.16 -18.24 12.58 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -112.47 -4.64 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.393 -1.063 . . . . 0.0 110.133 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -109.21 -89.32 2.01 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -34.22 -40.93 0.1 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.99 -0.711 . . . . 0.0 111.312 -179.07 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -55.05 -75.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.816 -1.177 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -9.2 22.26 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.61 -0.681 . . . . 0.0 110.13 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 3.6 t-80 -77.3 -61.26 2.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.452 -0.78 . . . . 0.0 109.592 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 -19.46 64.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.291 -0.881 . . . . 0.0 110.019 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.45 -44.19 12.95 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.54 -0.725 . . . . 0.0 109.566 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -62.41 -18.45 61.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.533 -0.729 . . . . 0.0 109.821 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -86.09 -65.05 1.05 Allowed 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.444 -0.785 . . . . 0.0 110.456 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.82 49.46 1.02 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.267 -0.896 . . . . 0.0 110.394 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.781 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.278 0.561 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.53 69.05 1.16 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.491 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -137.31 137.91 39.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 110.216 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -147.47 26.47 1.05 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.103 -0.998 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.77 128.02 34.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.212 -0.93 . . . . 0.0 110.113 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -168.86 -71.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.314 -0.866 . . . . 0.0 109.75 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HD3' ' HA2' ' A' ' 11' ' ' GLY . 1.0 OUTLIER 177.78 118.32 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.91 . . . . 0.0 110.426 179.431 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.483 HD11 HG23 ' A' ' 8' ' ' ILE . 3.1 mt -127.48 -66.39 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.378 -0.826 . . . . 0.0 110.502 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.49 -79.09 0.07 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.491 HD11 HG22 ' A' ' 10' ' ' ILE . 58.7 mt -77.77 -1.54 4.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 O-C-N 121.803 -0.822 . . . . 0.0 110.338 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.477 ' HA2' ' HD3' ' A' ' 7' ' ' LYS . . . -63.96 -7.35 22.91 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -79.5 -40.29 30.05 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.073 -1.251 . . . . 0.0 110.24 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.16 -54.38 47.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.318 -0.864 . . . . 0.0 110.478 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.73 -8.25 20.07 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-O 121.326 0.584 . . . . 0.0 110.771 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.455 ' CE1' ' HE2' ' A' ' 19' ' ' LYS . 4.1 t-80 -78.6 -59.03 2.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.159 -0.963 . . . . 0.0 110.195 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.89 -41.45 97.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.832 . . . . 0.0 110.69 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.17 -57.05 14.3 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.526 -0.734 . . . . 0.0 110.185 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -17.64 55.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.138 -0.976 . . . . 0.0 110.076 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HE2' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -85.73 -64.19 1.19 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.409 -0.807 . . . . 0.0 110.127 179.52 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 86.6 t80 -86.16 36.69 0.69 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.031 -1.043 . . . . 0.0 110.2 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.76 -1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.285 0.564 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.96 106.66 1.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 0.0 110.095 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.49 65.0 1.36 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.112 -0.992 . . . . 0.0 110.505 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.76 4.52 4.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.335 -0.853 . . . . 0.0 109.983 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -77.67 -159.91 0.17 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.33 -0.856 . . . . 0.0 110.194 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -129.66 48.06 2.42 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.27 -0.894 . . . . 0.0 109.709 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.58 170.3 14.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.404 -0.81 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.9 mt -128.23 -13.78 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.918 . . . . 0.0 110.527 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.29 -18.36 74.29 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.484 HD11 HG23 ' A' ' 10' ' ' ILE . 21.8 mt -84.3 -5.6 9.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.468 -1.019 . . . . 0.0 110.144 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.32 -27.44 9.26 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 7.21 27.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.345 -1.091 . . . . 0.0 110.245 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 2.2 t80 -80.59 -64.96 1.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 110.586 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -19.29 8.21 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.477 -0.764 . . . . 0.0 110.138 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.08 -65.86 0.75 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.587 -0.695 . . . . 0.0 109.833 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 p -73.93 -0.72 16.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.137 -0.977 . . . . 0.0 109.848 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 13' ' ' PHE . . . -79.79 -47.52 15.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.394 -0.816 . . . . 0.0 109.991 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -10.19 47.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.187 -0.945 . . . . 0.0 109.964 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -80.77 -57.17 3.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 109.597 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -70.76 -56.22 6.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.0 110.071 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.925 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.15 0.5 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.3 84.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.308 -0.87 . . . . 0.0 109.95 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.38 67.88 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.337 -0.852 . . . . 0.0 110.229 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 4' ' ' LEU . 3.2 pp -131.08 -7.89 3.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.177 -0.952 . . . . 0.0 110.376 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -103.75 88.43 3.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.313 -0.867 . . . . 0.0 110.391 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.15 50.79 0.84 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.006 -1.059 . . . . 0.0 110.466 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.37 97.22 4.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.068 -1.02 . . . . 0.0 110.257 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.435 HD11 HG22 ' A' ' 8' ' ' ILE . 4.4 mt -126.88 -33.91 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.463 -0.773 . . . . 0.0 109.826 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 13' ' ' PHE . . . -92.01 -14.48 56.2 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.474 HG21 HD13 ' A' ' 10' ' ' ILE . 6.3 mt -113.97 -8.69 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.977 . . . . 0.0 109.932 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.481 ' O ' ' CD2' ' A' ' 14' ' ' LEU . . . -84.38 -85.47 0.92 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 10.2 tptm -61.91 -9.63 7.43 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.667 -0.902 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 1.9 t80 -59.26 -43.82 92.45 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.083 -1.011 . . . . 0.0 109.479 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 11' ' ' GLY . 2.8 pp -64.32 -22.54 66.98 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 121.572 0.701 . . . . 0.0 110.144 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 55.7 t-80 -70.6 -72.22 0.21 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.502 -0.749 . . . . 0.0 110.036 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -61.34 -15.63 37.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.452 -0.78 . . . . 0.0 109.516 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 13' ' ' PHE . . . -72.67 -48.22 40.91 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.667 -0.645 . . . . 0.0 109.459 179.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -80.61 -1.86 43.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.408 -0.807 . . . . 0.0 110.051 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.2 -67.03 0.82 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.285 -0.884 . . . . 0.0 110.096 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -112.34 142.62 44.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.387 -0.821 . . . . 0.0 110.199 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.999 -1.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.146 0.498 . . . . 0.0 110.042 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.3 90.23 1.63 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.264 -0.897 . . . . 0.0 110.621 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 4' ' ' LEU . 16.0 tttt -139.35 159.8 41.32 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.292 -0.88 . . . . 0.0 110.017 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -176.58 61.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.17 -0.956 . . . . 0.0 110.598 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.75 52.44 1.02 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.902 -1.124 . . . . 0.0 110.132 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -149.6 37.48 0.74 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.31 -0.869 . . . . 0.0 110.095 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -131.53 135.51 47.11 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.373 -0.829 . . . . 0.0 109.798 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 mt -127.1 -38.26 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.176 -0.953 . . . . 0.0 110.083 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -44.77 -77.27 0.1 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 mm -96.38 -3.69 10.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 O-C-N 121.803 -0.822 . . . . 0.0 110.044 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -91.62 8.06 79.06 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -84.0 -58.0 2.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.216 -1.167 . . . . 0.0 110.375 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -46.09 -66.68 0.37 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 110.544 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.52 -21.23 2.32 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.596 0.713 . . . . 0.0 110.131 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 6.2 t-80 -67.42 -70.7 0.24 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.649 -0.657 . . . . 0.0 109.6 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 t -70.28 -5.04 24.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.202 -0.936 . . . . 0.0 109.968 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.22 -54.42 14.85 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.461 -0.774 . . . . 0.0 110.214 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -99.93 -3.45 32.31 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.926 . . . . 0.0 110.554 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 2.4 mmtm -86.41 -52.69 5.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -0.947 . . . . 0.0 110.226 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -107.79 -13.65 14.96 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.431 -0.793 . . . . 0.0 110.28 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.248 0.547 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.53 58.78 1.99 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.182 -0.949 . . . . 0.0 109.83 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -156.21 137.4 13.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.293 -0.879 . . . . 0.0 110.177 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 3' ' ' LYS . 4.9 mt -139.6 43.23 1.99 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -82.21 157.6 23.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.235 -0.916 . . . . 0.0 110.07 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.25 47.59 0.11 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 109.981 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -132.05 112.58 12.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.404 -0.81 . . . . 0.0 109.789 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.457 HD13 HG23 ' A' ' 8' ' ' ILE . 5.2 mt -126.87 -41.93 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.31 -0.869 . . . . 0.0 109.976 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.53 -26.64 5.55 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mt -86.43 -4.35 9.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 121.69 -0.888 . . . . 0.0 109.842 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -61.79 -11.27 29.39 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -70.87 -43.41 68.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -1.122 . . . . 0.0 110.191 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -56.92 -61.53 2.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 110.084 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.01 -14.05 8.34 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.58 0.705 . . . . 0.0 110.097 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 1.6 t-80 -68.41 -56.33 8.84 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.422 -0.799 . . . . 0.0 109.83 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.4 p -67.51 -9.51 42.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 0.0 110.239 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.39 -46.04 14.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.478 -0.764 . . . . 0.0 110.159 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -76.12 -16.98 59.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.869 . . . . 0.0 109.949 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 15' ' ' HIS . 11.2 mttm -85.79 -75.46 0.37 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.564 -0.71 . . . . 0.0 110.442 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.18 -68.68 0.79 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.406 -0.809 . . . . 0.0 110.251 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.813 -1.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 2' ' ' ALA . 8.6 ptpp? . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.284 0.564 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 1' ' ' LYS . . . -99.04 69.21 1.74 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.849 . . . . 0.0 109.992 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -170.87 106.82 0.27 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -129.39 31.94 4.74 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.256 -0.902 . . . . 0.0 110.519 -179.432 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.21 63.84 0.54 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.271 -0.893 . . . . 0.0 110.179 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 7.9 ptpp? -166.92 55.17 0.08 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.4 -0.813 . . . . 0.0 110.04 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -133.14 150.23 52.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 110.401 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.31 -12.25 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.9 . . . . 0.0 110.35 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.54 5.22 10.84 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 13.2 mt -103.26 -7.92 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.39 -1.065 . . . . 0.0 110.228 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -86.34 -8.77 77.32 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -85.7 -3.64 58.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.335 -1.097 . . . . 0.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -73.82 -87.52 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.281 -0.887 . . . . 0.0 111.847 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.76 -9.98 7.79 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.5 -0.75 . . . . 0.0 111.199 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 16.5 t-80 -78.83 -54.28 6.23 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.107 -0.996 . . . . 0.0 109.929 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -8.25 24.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.231 -0.918 . . . . 0.0 110.057 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.24 -54.33 4.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -72.99 -21.65 60.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.281 -0.887 . . . . 0.0 110.107 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -85.67 -60.55 1.99 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.522 -0.736 . . . . 0.0 110.115 179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -105.83 147.46 28.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.33 -0.856 . . . . 0.0 110.15 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.9 mttm . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.311 0.577 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.2 96.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.92 . . . . 0.0 110.338 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.94 69.39 1.47 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.202 -0.936 . . . . 0.0 109.986 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.17 27.94 0.17 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.296 -0.877 . . . . 0.0 110.532 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.76 5.79 45.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.181 -0.95 . . . . 0.0 109.828 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -142.79 66.33 1.33 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.491 -0.756 . . . . 0.0 109.671 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.31 -164.06 1.43 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.158 -0.964 . . . . 0.0 110.942 -179.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.431 HD13 HG21 ' A' ' 8' ' ' ILE . 4.6 mt -126.23 -7.37 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.49 -0.756 . . . . 0.0 109.833 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.71 -32.19 57.54 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 10' ' ' ILE . 26.1 mt -76.12 -8.49 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.404 -1.057 . . . . 0.0 110.028 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.98 -2.53 90.46 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -76.08 -46.87 26.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -1.165 . . . . 0.0 110.261 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.41 -51.15 65.78 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.208 -0.933 . . . . 0.0 109.758 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.87 -14.1 62.83 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.379 0.609 . . . . 0.0 110.175 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 66.4 t-80 -64.4 -67.49 0.43 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.445 -0.785 . . . . 0.0 109.056 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -61.97 -13.27 23.85 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.56 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.67 -55.12 6.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.648 -0.658 . . . . 0.0 109.546 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -60.0 -19.44 52.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.264 -0.897 . . . . 0.0 109.236 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -60.94 1.98 Allowed 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.406 0.622 . . . . 0.0 109.97 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -110.84 36.62 3.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 0.0 110.203 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.19 0.519 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.32 -162.87 1.49 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.156 -0.965 . . . . 0.0 110.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -131.95 103.52 6.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.106 179.763 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' O ' HD11 ' A' ' 8' ' ' ILE . 8.1 mt -131.29 22.52 4.8 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.603 0.716 . . . . 0.0 109.141 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -78.29 95.73 5.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.585 -0.697 . . . . 0.0 110.491 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HE3' ' HE2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -163.44 -39.25 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.232 -0.918 . . . . 0.0 110.198 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER 179.57 96.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 109.601 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.494 HD11 ' O ' ' A' ' 4' ' ' LEU . 2.7 mt -129.87 -69.86 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.113 -0.992 . . . . 0.0 111.05 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.438 ' HA2' ' HE3' ' A' ' 12' ' ' LYS . . . -113.35 -7.55 20.61 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 10' ' ' ILE . 9.3 mt -95.85 -4.58 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.185 -1.185 . . . . 0.0 109.951 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -100.85 -11.49 40.13 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HE3' ' HA2' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -86.12 1.23 51.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.303 -1.116 . . . . 0.0 110.016 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -59.79 -105.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.364 -0.835 . . . . 0.0 111.031 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 5.6 mt -62.53 -10.68 12.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.989 -1.069 . . . . 0.0 110.52 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 21.5 t-80 -69.41 -57.18 5.6 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.331 -0.856 . . . . 0.0 109.828 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -6.6 53.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.175 -0.953 . . . . 0.0 109.894 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.475 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . . . -84.04 -56.25 3.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.468 -0.77 . . . . 0.0 109.909 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -22.48 65.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 0.0 109.703 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -84.62 -47.87 10.08 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.607 -0.683 . . . . 0.0 109.759 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.54 -126.94 0.25 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.424 -0.797 . . . . 0.0 109.999 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.261 0 O-C-N 119.632 -1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.347 0.594 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.009 ' HB1' ' CD1' ' A' ' 8' ' ' ILE . . . -89.12 57.74 4.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.26 -0.9 . . . . 0.0 110.077 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -138.76 49.64 1.87 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 110.305 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.1 mt -132.42 -80.21 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.845 . . . . 0.0 109.887 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.2 -156.47 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.858 -0.526 . . . . 0.0 109.881 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.494 ' HG3' ' HG3' ' A' ' 7' ' ' LYS . 7.0 ptpp? -134.11 27.88 3.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.184 -0.947 . . . . 0.0 110.228 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.494 ' HG3' ' HG3' ' A' ' 6' ' ' LYS . 39.8 mttt -144.87 109.19 4.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.957 . . . . 0.0 110.044 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.009 ' CD1' ' HB1' ' A' ' 2' ' ' ALA . 2.3 mt -127.69 -26.07 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.197 -0.939 . . . . 0.0 110.513 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.33 -2.45 50.87 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -115.87 -5.96 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.24 -1.153 . . . . 0.0 110.688 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.538 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -104.46 -14.85 22.82 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -30.61 69.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -1.052 . . . . 0.0 110.115 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.94 -67.99 0.39 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.257 -0.902 . . . . 0.0 110.018 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.3 mt -52.1 -25.94 9.97 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.586 0.708 . . . . 0.0 109.717 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.538 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 9.9 t-80 -76.46 -54.06 7.25 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.581 -0.699 . . . . 0.0 109.623 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.46 ' HA ' ' HB2' ' A' ' 19' ' ' LYS . 3.5 m -62.0 -38.03 87.09 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.664 0.745 . . . . 0.0 109.705 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.46 -54.38 44.51 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.706 -0.621 . . . . 0.0 109.896 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.47 -17.67 61.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.208 -0.932 . . . . 0.0 109.976 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -60.82 -61.59 2.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.597 -0.689 . . . . 0.0 109.828 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.527 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 2.5 t80 -83.53 85.84 7.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.51 -0.744 . . . . 0.0 109.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.194 0.521 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.84 115.97 31.44 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.235 -0.916 . . . . 0.0 110.256 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -150.86 120.4 6.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.929 . . . . 0.0 110.271 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.797 ' H ' HD23 ' A' ' 4' ' ' LEU . 1.9 pt? -133.49 14.97 4.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.171 -0.955 . . . . 0.0 110.338 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -91.55 29.66 1.46 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.145 -0.972 . . . . 0.0 109.834 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.86 67.38 1.16 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.418 -0.801 . . . . 0.0 110.185 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 148.47 40.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.118 -0.989 . . . . 0.0 110.564 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.0 -57.28 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.86 . . . . 0.0 109.796 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.84 -32.67 4.48 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.441 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 21.0 mt -94.46 -5.06 10.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 121.392 -1.063 . . . . 0.0 110.151 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.92 -56.15 7.43 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -81.7 7.26 12.9 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.678 -0.895 . . . . 0.0 110.382 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 3.9 t80 -57.99 -51.85 67.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.893 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.66 -15.62 63.21 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-O 121.419 0.628 . . . . 0.0 110.433 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -82.1 -61.32 1.94 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.411 -0.806 . . . . 0.0 110.023 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -11.94 15.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.603 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.2 -56.57 4.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.525 -0.734 . . . . 0.0 109.85 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -69.08 -6.99 31.73 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.27 -0.894 . . . . 0.0 110.053 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -67.33 0.8 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.422 -0.799 . . . . 0.0 110.228 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -82.97 132.31 35.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 110.36 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.0 tptt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.202 0.525 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.3 55.4 5.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.885 . . . . 0.0 109.984 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -141.88 144.7 33.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -0.89 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.2 pp -148.91 40.07 0.88 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.871 . . . . 0.0 110.211 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -22.06 36.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 110.143 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -134.14 43.55 2.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.948 . . . . 0.0 110.19 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.5 86.18 1.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.14 -0.975 . . . . 0.0 110.392 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -126.64 -28.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 0.0 110.207 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.15 -21.66 11.86 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.075 -1.61 . . . . 0.0 109.075 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -95.95 -12.7 8.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.658 -0.907 . . . . 0.0 109.613 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.45 -34.97 9.8 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -82.65 -19.56 37.97 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.734 -0.862 . . . . 0.0 109.133 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -39.26 82.59 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 121.991 0.9 . . . . 0.0 109.264 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 17.8 mt -63.87 -21.97 66.7 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.832 0.825 . . . . 0.0 109.237 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -68.75 -55.48 11.16 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.661 0.743 . . . . 0.0 109.157 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -18.58 58.54 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.729 0.776 . . . . 0.0 109.408 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -71.79 -39.02 70.19 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.632 -0.668 . . . . 0.0 109.372 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -13.24 59.53 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.662 0.744 . . . . 0.0 109.485 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.45 -34.0 58.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.553 -0.717 . . . . 0.0 109.657 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -115.96 136.8 52.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.39 -0.819 . . . . 0.0 110.209 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.858 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.303 0.573 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.8 -178.98 3.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.21 -0.931 . . . . 0.0 110.414 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 3.6 ptmt -136.39 112.34 9.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.272 -0.892 . . . . 0.0 110.255 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.58 20.43 1.5 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.234 -0.916 . . . . 0.0 110.274 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.26 151.92 24.5 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.228 -0.92 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -131.55 48.19 2.45 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 110.588 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -177.23 162.18 1.92 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -0.927 . . . . 0.0 110.005 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.24 -50.81 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.113 -0.992 . . . . 0.0 110.567 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.83 -51.62 4.1 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mm -76.94 -22.94 14.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 121.741 -0.858 . . . . 0.0 109.359 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.52 -15.35 27.52 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.671 -1.771 . . . . 0.0 108.671 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.76 -40.88 94.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.61 -0.935 . . . . 0.0 109.635 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 3.9 t80 -62.56 -45.01 94.91 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 122.037 0.922 . . . . 0.0 108.903 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -18.21 59.59 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-O 121.707 0.765 . . . . 0.0 109.423 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -84.37 -55.1 4.34 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.67 -0.644 . . . . 0.0 109.535 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -72.33 -9.39 58.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.35 -0.844 . . . . 0.0 109.669 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -80.31 -59.26 2.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.482 -0.761 . . . . 0.0 109.575 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -8.32 52.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.309 -0.869 . . . . 0.0 109.762 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.51 -69.49 0.66 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.476 -0.765 . . . . 0.0 110.302 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -72.09 -50.83 25.02 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.341 -0.85 . . . . 0.0 110.328 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.781 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.296 0.57 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.26 58.96 0.57 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.297 -0.877 . . . . 0.0 110.156 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 2.8 tttm -146.19 -171.69 3.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.455 ' HG ' ' C ' ' A' ' 3' ' ' LYS . 1.5 mt -130.51 19.98 5.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -166.2 0.56 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.463 -0.773 . . . . 0.0 110.44 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -162.04 -41.28 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.453 -0.779 . . . . 0.0 109.857 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.12 169.12 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.391 -0.818 . . . . 0.0 109.879 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.63 -17.08 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.124 -0.985 . . . . 0.0 110.719 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.55 -21.01 40.61 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.846 -1.701 . . . . 0.0 108.846 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 10.3 mt -108.92 -6.89 11.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.644 -0.915 . . . . 0.0 109.862 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.48 -47.3 51.68 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -77.34 -4.61 45.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.743 -0.857 . . . . 0.0 109.824 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.0 t80 -70.54 -65.53 0.72 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.812 0.815 . . . . 0.0 110.174 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -59.81 -16.06 25.43 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.588 0.709 . . . . 0.0 110.25 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.497 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 6.8 t-80 -69.98 -64.4 0.89 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.504 -0.748 . . . . 0.0 109.56 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 p -64.96 -13.41 57.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.192 -0.943 . . . . 0.0 109.437 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.37 -46.26 80.84 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.529 -0.732 . . . . 0.0 109.089 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -74.26 -20.93 59.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.421 -0.799 . . . . 0.0 109.278 179.079 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -72.97 0.46 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.654 -0.654 . . . . 0.0 110.158 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -43.34 8.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.24 -0.912 . . . . 0.0 110.152 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.818 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.219 0.533 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 58.39 -171.29 0.11 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.314 -0.866 . . . . 0.0 110.432 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 51.7 mttm -132.26 73.25 1.52 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.333 -0.855 . . . . 0.0 109.953 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 3' ' ' LYS . 1.2 mp -139.44 48.0 1.86 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.394 -0.816 . . . . 0.0 109.861 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -84.29 31.87 0.5 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.317 -0.864 . . . . 0.0 110.758 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.65 49.8 1.22 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.088 -1.007 . . . . 0.0 110.121 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -154.65 122.5 5.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 110.408 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.95 -55.81 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 0.0 110.189 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.4 -4.36 26.99 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.9 mt -105.5 -6.35 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -1.104 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -56.81 -22.36 40.59 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -64.77 -34.1 77.54 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.426 -1.044 . . . . 0.0 109.971 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.11 -62.83 1.41 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.872 0.844 . . . . 0.0 110.035 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.1 mt -73.06 0.11 12.38 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.314 0.578 . . . . 0.0 110.406 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 12' ' ' LYS . 2.0 t-160 -74.79 -60.6 2.21 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.165 -0.959 . . . . 0.0 109.973 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -6.31 50.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 0.0 109.866 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.52 -49.2 15.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.834 . . . . 0.0 110.071 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -81.41 -17.12 49.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.167 -0.958 . . . . 0.0 109.879 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -74.37 -35.15 63.52 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.567 0.699 . . . . 0.0 109.842 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -89.29 36.05 0.82 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.604 -0.685 . . . . 0.0 110.357 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.918 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.247 0.546 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 54.6 172.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 0.0 109.936 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 60.17 1.62 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 110.147 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.531 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.5 pp -139.57 4.73 2.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.277 -0.89 . . . . 0.0 110.358 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -52.34 150.1 5.03 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.194 -0.941 . . . . 0.0 109.992 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -150.69 71.41 1.04 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 110.314 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HG3' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -135.48 98.1 3.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.233 -0.917 . . . . 0.0 110.361 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mt -139.13 -61.75 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.221 -0.924 . . . . 0.0 110.161 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.12 -0.09 60.16 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.572 ' N ' HD13 ' A' ' 10' ' ' ILE . 4.4 mm -63.65 -10.67 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.243 . . . . 0.0 110.147 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.2 -40.59 8.47 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 9.08 15.66 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.615 -0.932 . . . . 0.0 109.896 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.49 -100.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.432 -0.793 . . . . 0.0 110.879 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.5 pp -67.68 -4.54 12.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.132 -0.98 . . . . 0.0 110.738 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.7 t-80 -63.65 -54.99 27.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.12 -0.987 . . . . 0.0 109.371 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.5 p -68.52 -4.52 15.43 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.395 -0.816 . . . . 0.0 110.384 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -82.48 -51.03 8.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.152 -0.967 . . . . 0.0 110.322 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -23.96 24.29 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.152 -0.968 . . . . 0.0 110.344 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -80.45 -34.8 35.71 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.411 -0.806 . . . . 0.0 109.932 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -116.34 89.1 3.03 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.28 -0.887 . . . . 0.0 110.145 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.247 0.546 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.63 98.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.33 -0.857 . . . . 0.0 110.628 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -163.09 117.96 1.71 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.903 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -134.48 0.95 3.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 110.512 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.89 76.94 0.12 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 109.908 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -135.54 1.87 2.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.327 -0.858 . . . . 0.0 110.563 -179.539 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.97 -162.64 0.22 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 0.0 110.823 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mt -126.43 -41.55 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.607 -0.683 . . . . 0.0 109.65 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.03 -31.68 4.94 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 10' ' ' ILE . 4.0 mm -93.04 -13.31 8.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 O-C-N 121.413 -1.051 . . . . 0.0 110.124 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.86 -9.13 62.18 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -85.36 -50.16 7.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.36 -1.083 . . . . 0.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 17' ' ' ALA . 7.3 t80 -60.04 -54.26 48.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.225 -0.922 . . . . 0.0 110.587 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 14' ' ' LEU . 2.5 mt -47.76 -23.69 0.78 Allowed 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.683 0.754 . . . . 0.0 109.705 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.92 -57.2 3.52 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.488 0.661 . . . . 0.0 109.335 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -69.84 -15.58 63.12 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.21 -0.931 . . . . 0.0 109.467 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' PHE . . . -75.1 -44.63 46.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.641 -0.662 . . . . 0.0 109.314 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 10.6 mtpt -78.53 -8.36 58.49 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.489 -0.757 . . . . 0.0 109.783 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -63.55 1.39 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 110.434 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -91.29 -56.87 2.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.021 -1.049 . . . . 0.0 110.315 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.774 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.125 0.488 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.408 ' C ' ' HG2' ' A' ' 3' ' ' LYS . . . -120.75 54.11 1.09 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 110.186 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.2 mmmt -134.43 155.23 50.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.32 -0.862 . . . . 0.0 110.091 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 3' ' ' LYS . 24.3 mt -131.24 9.58 4.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.186 -0.946 . . . . 0.0 110.233 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -87.31 24.63 1.56 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 110.45 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -158.32 38.26 0.24 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.176 -0.952 . . . . 0.0 110.453 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 26.6 mtmt -151.95 74.91 1.12 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.123 -0.986 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mt -126.58 -63.3 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 109.854 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.97 -17.04 57.06 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mt -116.39 -6.99 12.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.347 -1.09 . . . . 0.0 110.148 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.49 ' O ' HD13 ' A' ' 14' ' ' LEU . . . -102.02 -82.44 1.65 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -37.31 -31.48 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.892 -0.769 . . . . 0.0 111.025 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' GLY . 3.6 t80 -44.94 -86.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.07 -1.019 . . . . 0.0 110.045 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.811 HD22 ' C ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.68 2.15 4.47 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.543 -0.723 . . . . 0.0 110.994 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' N ' HD13 ' A' ' 14' ' ' LEU . 2.1 t-80 -63.48 -54.03 42.76 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.0 -1.062 . . . . 0.0 109.431 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 p -63.11 -20.51 65.43 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.678 0.751 . . . . 0.0 109.835 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.05 -46.04 31.18 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.509 0.671 . . . . 0.0 109.265 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 2.2 tttm -74.31 -15.54 60.95 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.43 -0.794 . . . . 0.0 109.593 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -32.81 54.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.598 -0.689 . . . . 0.0 109.655 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -115.76 36.39 4.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.464 -0.773 . . . . 0.0 110.175 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.934 0.397 . . . . 0.0 110.053 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 1' ' ' LYS . . . 178.43 108.39 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.955 -1.091 . . . . 0.0 110.376 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 10.3 mtpt -136.19 176.41 8.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.377 -0.827 . . . . 0.0 109.892 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.527 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -137.97 42.83 2.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.04 -1.038 . . . . 0.0 110.791 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -50.1 42.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.912 -1.117 . . . . 0.0 109.248 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 7.8 tttt -130.64 20.8 5.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.331 -0.856 . . . . 0.0 109.61 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -134.66 141.18 46.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.445 -0.784 . . . . 0.0 109.816 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.65 -59.74 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.095 -1.003 . . . . 0.0 111.095 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.47 -11.74 26.51 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.436 HG22 ' HB2' ' A' ' 13' ' ' PHE . 17.4 mt -93.08 -4.31 10.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 121.395 -1.062 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -48.4 -23.58 3.15 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -5.93 48.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.384 -1.068 . . . . 0.0 109.876 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' HB2' HG22 ' A' ' 10' ' ' ILE . 81.5 t80 -53.71 -68.43 0.18 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.153 0.978 . . . . 0.0 110.272 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -23.98 0.41 Allowed 'General case' 0 C--N 1.291 -1.955 0 CA-C-O 121.668 0.746 . . . . 0.0 109.834 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.1 t-80 -81.94 -55.88 4.31 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.574 -0.704 . . . . 0.0 109.891 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.3 m -68.8 -20.83 64.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.185 -0.947 . . . . 0.0 109.815 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.23 -54.55 12.3 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.675 -0.64 . . . . 0.0 109.488 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -74.84 -4.5 38.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.426 -0.796 . . . . 0.0 109.869 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 24.9 tttm -75.91 -60.04 2.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.831 . . . . 0.0 110.477 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -83.12 -19.07 37.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.364 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.203 0.525 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.95 -171.53 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.201 -0.937 . . . . 0.0 110.192 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 2.1 ptmm? -171.18 128.93 0.72 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 0.0 110.182 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.1 pp -161.05 46.45 0.2 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 110.273 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -77.54 149.18 34.94 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.181 -0.95 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -148.13 71.69 1.18 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.132 -0.98 . . . . 0.0 110.354 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HE3' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -131.92 -162.49 1.23 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.267 -0.896 . . . . 0.0 110.26 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.8 mt -126.85 -3.85 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.397 -0.815 . . . . 0.0 110.651 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -40.8 -73.58 0.19 Allowed Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.449 HD12 ' HE3' ' A' ' 7' ' ' LYS . 1.2 mp -70.23 -5.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 O-C-N 121.688 -0.889 . . . . 0.0 110.223 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.59 -7.05 67.98 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -85.53 -42.99 13.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.181 -1.188 . . . . 0.0 110.223 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.75 -63.67 1.06 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.266 -0.896 . . . . 0.0 110.543 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 28.6 mt -56.04 -17.35 6.67 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.547 0.689 . . . . 0.0 110.144 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.519 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 5.2 t-80 -63.83 -58.5 6.62 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.611 -0.681 . . . . 0.0 109.939 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -9.0 51.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -67.24 -55.61 13.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.483 -0.761 . . . . 0.0 109.525 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -80.7 -12.87 59.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 0.0 109.856 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -58.34 2.85 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.479 -0.763 . . . . 0.0 109.921 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -81.84 -179.78 7.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.913 . . . . 0.0 110.325 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.569 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 2.7 tttp . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.177 0.513 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 61.29 120.28 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 0.0 110.491 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -133.48 169.32 17.13 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.214 -0.929 . . . . 0.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.77 16.31 4.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.22 -0.925 . . . . 0.0 110.5 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.99 77.34 2.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.286 -0.884 . . . . 0.0 110.037 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.35 57.2 0.94 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.141 -0.974 . . . . 0.0 110.596 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 1.1 pttm -140.88 107.63 5.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.315 -0.866 . . . . 0.0 109.489 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.629 HG22 ' HB2' ' A' ' 12' ' ' LYS . 4.9 mt -127.22 -31.96 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.272 -0.892 . . . . 0.0 110.488 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.16 -18.24 12.58 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -112.47 -4.64 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.393 -1.063 . . . . 0.0 110.133 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -109.21 -89.32 2.01 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HB2' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -34.22 -40.93 0.1 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.99 -0.711 . . . . 0.0 111.312 -179.07 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -55.05 -75.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.816 -1.177 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -65.3 -9.2 22.26 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.61 -0.681 . . . . 0.0 110.13 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 3.6 t-80 -77.3 -61.26 2.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.452 -0.78 . . . . 0.0 109.592 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 -19.46 64.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.291 -0.881 . . . . 0.0 110.019 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.45 -44.19 12.95 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.54 -0.725 . . . . 0.0 109.566 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' LEU . 7.1 tptp -62.41 -18.45 61.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.533 -0.729 . . . . 0.0 109.821 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -86.09 -65.05 1.05 Allowed 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.444 -0.785 . . . . 0.0 110.456 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.82 49.46 1.02 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.267 -0.896 . . . . 0.0 110.394 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.781 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.278 0.561 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.53 69.05 1.16 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.491 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -137.31 137.91 39.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 110.216 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' N ' HD23 ' A' ' 4' ' ' LEU . 2.2 pt? -147.47 26.47 1.05 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.103 -0.998 . . . . 0.0 110.436 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.77 128.02 34.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.212 -0.93 . . . . 0.0 110.113 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -168.86 -71.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.314 -0.866 . . . . 0.0 109.75 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.502 ' HD3' ' HA2' ' A' ' 11' ' ' GLY . 1.0 OUTLIER 177.78 118.32 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.91 . . . . 0.0 110.426 179.431 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 mt -127.48 -66.39 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.378 -0.826 . . . . 0.0 110.502 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.49 -79.09 0.07 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 10' ' ' ILE . 58.7 mt -77.77 -1.54 4.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 O-C-N 121.803 -0.822 . . . . 0.0 110.338 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.502 ' HA2' ' HD3' ' A' ' 7' ' ' LYS . . . -63.96 -7.35 22.91 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -79.5 -40.29 30.05 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.073 -1.251 . . . . 0.0 110.24 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.16 -54.38 47.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.318 -0.864 . . . . 0.0 110.478 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD13 ' HE2' ' A' ' 7' ' ' LYS . 3.2 mp -65.73 -8.25 20.07 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-O 121.326 0.584 . . . . 0.0 110.771 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.439 ' CE1' ' HE2' ' A' ' 19' ' ' LYS . 4.1 t-80 -78.6 -59.03 2.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.159 -0.963 . . . . 0.0 110.195 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.89 -41.45 97.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.832 . . . . 0.0 110.69 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.17 -57.05 14.3 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.526 -0.734 . . . . 0.0 110.185 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -17.64 55.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.138 -0.976 . . . . 0.0 110.076 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -85.73 -64.19 1.19 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.409 -0.807 . . . . 0.0 110.127 179.52 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 86.6 t80 -86.16 36.69 0.69 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.031 -1.043 . . . . 0.0 110.2 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.76 -1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.285 0.564 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.96 106.66 1.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 0.0 110.095 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.49 65.0 1.36 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.112 -0.992 . . . . 0.0 110.505 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.76 4.52 4.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.335 -0.853 . . . . 0.0 109.983 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -77.67 -159.91 0.17 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.33 -0.856 . . . . 0.0 110.194 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 13.3 ttmt -129.66 48.06 2.42 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.27 -0.894 . . . . 0.0 109.709 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.58 170.3 14.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.404 -0.81 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.9 mt -128.23 -13.78 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.918 . . . . 0.0 110.527 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.29 -18.36 74.29 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mt -84.3 -5.6 9.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.468 -1.019 . . . . 0.0 110.144 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.32 -27.44 9.26 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 7.21 27.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.345 -1.091 . . . . 0.0 110.245 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 2.2 t80 -80.59 -64.96 1.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 110.586 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -19.29 8.21 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.477 -0.764 . . . . 0.0 110.138 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.08 -65.86 0.75 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.587 -0.695 . . . . 0.0 109.833 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 p -73.93 -0.72 16.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.137 -0.977 . . . . 0.0 109.848 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -79.79 -47.52 15.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.394 -0.816 . . . . 0.0 109.991 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -10.19 47.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.187 -0.945 . . . . 0.0 109.964 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -80.77 -57.17 3.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 109.597 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -70.76 -56.22 6.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.0 110.071 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.925 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.15 0.5 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.3 84.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.308 -0.87 . . . . 0.0 109.95 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.38 67.88 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.337 -0.852 . . . . 0.0 110.229 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 5' ' ' PHE . 3.2 pp -131.08 -7.89 3.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.177 -0.952 . . . . 0.0 110.376 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.699 ' N ' HD12 ' A' ' 4' ' ' LEU . 60.5 t80 -103.75 88.43 3.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.313 -0.867 . . . . 0.0 110.391 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.15 50.79 0.84 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.006 -1.059 . . . . 0.0 110.466 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.37 97.22 4.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.068 -1.02 . . . . 0.0 110.257 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mt -126.88 -33.91 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.463 -0.773 . . . . 0.0 109.826 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 13' ' ' PHE . . . -92.01 -14.48 56.2 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 mt -113.97 -8.69 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.977 . . . . 0.0 109.932 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.481 ' O ' ' CD2' ' A' ' 14' ' ' LEU . . . -84.38 -85.47 0.92 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 10.2 tptm -61.91 -9.63 7.43 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.667 -0.902 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.656 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.9 t80 -59.26 -43.82 92.45 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.083 -1.011 . . . . 0.0 109.479 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 11' ' ' GLY . 2.8 pp -64.32 -22.54 66.98 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 121.572 0.701 . . . . 0.0 110.144 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 55.7 t-80 -70.6 -72.22 0.21 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.502 -0.749 . . . . 0.0 110.036 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 19' ' ' LYS . 1.8 t -61.34 -15.63 37.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.452 -0.78 . . . . 0.0 109.516 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -72.67 -48.22 40.91 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.667 -0.645 . . . . 0.0 109.459 179.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -80.61 -1.86 43.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.408 -0.807 . . . . 0.0 110.051 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -82.2 -67.03 0.82 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.285 -0.884 . . . . 0.0 110.096 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -112.34 142.62 44.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.387 -0.821 . . . . 0.0 110.199 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.999 -1.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.146 0.498 . . . . 0.0 110.042 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.3 90.23 1.63 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.264 -0.897 . . . . 0.0 110.621 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 4' ' ' LEU . 16.0 tttt -139.35 159.8 41.32 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.292 -0.88 . . . . 0.0 110.017 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.704 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -176.58 61.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.17 -0.956 . . . . 0.0 110.598 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.75 52.44 1.02 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.902 -1.124 . . . . 0.0 110.132 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 4' ' ' LEU . 16.2 pttt -149.6 37.48 0.74 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.31 -0.869 . . . . 0.0 110.095 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -131.53 135.51 47.11 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.373 -0.829 . . . . 0.0 109.798 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 mt -127.1 -38.26 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.176 -0.953 . . . . 0.0 110.083 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -44.77 -77.27 0.1 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 mm -96.38 -3.69 10.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 O-C-N 121.803 -0.822 . . . . 0.0 110.044 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -91.62 8.06 79.06 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -84.0 -58.0 2.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.216 -1.167 . . . . 0.0 110.375 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -46.09 -66.68 0.37 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 110.544 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.52 -21.23 2.32 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.596 0.713 . . . . 0.0 110.131 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 6.2 t-80 -67.42 -70.7 0.24 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.649 -0.657 . . . . 0.0 109.6 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 t -70.28 -5.04 24.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.202 -0.936 . . . . 0.0 109.968 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.22 -54.42 14.85 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.461 -0.774 . . . . 0.0 110.214 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -99.93 -3.45 32.31 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.926 . . . . 0.0 110.554 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 2.4 mmtm -86.41 -52.69 5.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -0.947 . . . . 0.0 110.226 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -107.79 -13.65 14.96 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.431 -0.793 . . . . 0.0 110.28 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 31.0 mtpt . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.248 0.547 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 61.53 58.78 1.99 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.182 -0.949 . . . . 0.0 109.83 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -156.21 137.4 13.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.293 -0.879 . . . . 0.0 110.177 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 3' ' ' LYS . 4.9 mt -139.6 43.23 1.99 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -82.21 157.6 23.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.235 -0.916 . . . . 0.0 110.07 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.25 47.59 0.11 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 109.981 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -132.05 112.58 12.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.404 -0.81 . . . . 0.0 109.789 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.2 mt -126.87 -41.93 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.31 -0.869 . . . . 0.0 109.976 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.53 -26.64 5.55 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mt -86.43 -4.35 9.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 121.69 -0.888 . . . . 0.0 109.842 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -61.79 -11.27 29.39 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -70.87 -43.41 68.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -1.122 . . . . 0.0 110.191 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -56.92 -61.53 2.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 110.084 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' HB3' ' HE3' ' A' ' 18' ' ' LYS . 17.6 mt -59.01 -14.05 8.34 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.58 0.705 . . . . 0.0 110.097 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 1.6 t-80 -68.41 -56.33 8.84 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.422 -0.799 . . . . 0.0 109.83 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.4 p -67.51 -9.51 42.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 0.0 110.239 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.39 -46.04 14.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.478 -0.764 . . . . 0.0 110.159 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 14' ' ' LEU . 50.9 mttt -76.12 -16.98 59.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.869 . . . . 0.0 109.949 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 15' ' ' HIS . 11.2 mttm -85.79 -75.46 0.37 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.564 -0.71 . . . . 0.0 110.442 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.18 -68.68 0.79 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.406 -0.809 . . . . 0.0 110.251 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.813 -1.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 2' ' ' ALA . 8.6 ptpp? . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.284 0.564 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 1' ' ' LYS . . . -99.04 69.21 1.74 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.849 . . . . 0.0 109.992 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -170.87 106.82 0.27 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.889 ' N ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -129.39 31.94 4.74 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.256 -0.902 . . . . 0.0 110.519 -179.432 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.21 63.84 0.54 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.271 -0.893 . . . . 0.0 110.179 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -166.92 55.17 0.08 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.4 -0.813 . . . . 0.0 110.04 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.646 ' HB2' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -133.14 150.23 52.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 110.401 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.31 -12.25 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.9 . . . . 0.0 110.35 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.54 5.22 10.84 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.646 HD12 ' HB2' ' A' ' 7' ' ' LYS . 13.2 mt -103.26 -7.92 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.39 -1.065 . . . . 0.0 110.228 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -86.34 -8.77 77.32 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -85.7 -3.64 58.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.335 -1.097 . . . . 0.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -73.82 -87.52 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.281 -0.887 . . . . 0.0 111.847 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.76 -9.98 7.79 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.5 -0.75 . . . . 0.0 111.199 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 16.5 t-80 -78.83 -54.28 6.23 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.107 -0.996 . . . . 0.0 109.929 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -8.25 24.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.231 -0.918 . . . . 0.0 110.057 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.24 -54.33 4.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -72.99 -21.65 60.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.281 -0.887 . . . . 0.0 110.107 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -85.67 -60.55 1.99 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.522 -0.736 . . . . 0.0 110.115 179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -105.83 147.46 28.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.33 -0.856 . . . . 0.0 110.15 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.9 mttm . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.311 0.577 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.2 96.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.92 . . . . 0.0 110.338 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.94 69.39 1.47 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.202 -0.936 . . . . 0.0 109.986 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.17 27.94 0.17 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.296 -0.877 . . . . 0.0 110.532 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.76 5.79 45.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.181 -0.95 . . . . 0.0 109.828 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -142.79 66.33 1.33 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.491 -0.756 . . . . 0.0 109.671 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.31 -164.06 1.43 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.158 -0.964 . . . . 0.0 110.942 -179.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 mt -126.23 -7.37 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.49 -0.756 . . . . 0.0 109.833 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.71 -32.19 57.54 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mt -76.12 -8.49 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.404 -1.057 . . . . 0.0 110.028 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.98 -2.53 90.46 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -76.08 -46.87 26.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -1.165 . . . . 0.0 110.261 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.41 -51.15 65.78 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.208 -0.933 . . . . 0.0 109.758 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 87.3 mt -68.87 -14.1 62.83 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.379 0.609 . . . . 0.0 110.175 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 66.4 t-80 -64.4 -67.49 0.43 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.445 -0.785 . . . . 0.0 109.056 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -61.97 -13.27 23.85 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.56 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -73.67 -55.12 6.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.648 -0.658 . . . . 0.0 109.546 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -60.0 -19.44 52.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.264 -0.897 . . . . 0.0 109.236 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -60.94 1.98 Allowed 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.406 0.622 . . . . 0.0 109.97 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -110.84 36.62 3.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 0.0 110.203 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.19 0.519 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.32 -162.87 1.49 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.156 -0.965 . . . . 0.0 110.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.699 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -131.95 103.52 6.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.106 179.763 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 3' ' ' LYS . 8.1 mt -131.29 22.52 4.8 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.603 0.716 . . . . 0.0 109.141 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -78.29 95.73 5.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.585 -0.697 . . . . 0.0 110.491 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HE3' ' HE2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -163.44 -39.25 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.232 -0.918 . . . . 0.0 110.198 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HE2' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 179.57 96.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 109.601 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 4' ' ' LEU . 2.7 mt -129.87 -69.86 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.113 -0.992 . . . . 0.0 111.05 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.475 ' HA2' ' HE3' ' A' ' 12' ' ' LYS . . . -113.35 -7.55 20.61 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 10' ' ' ILE . 9.3 mt -95.85 -4.58 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.185 -1.185 . . . . 0.0 109.951 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -100.85 -11.49 40.13 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HE3' ' HA2' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -86.12 1.23 51.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.303 -1.116 . . . . 0.0 110.016 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -59.79 -105.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.364 -0.835 . . . . 0.0 111.031 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 5.6 mt -62.53 -10.68 12.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.989 -1.069 . . . . 0.0 110.52 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 21.5 t-80 -69.41 -57.18 5.6 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.331 -0.856 . . . . 0.0 109.828 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -6.6 53.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.175 -0.953 . . . . 0.0 109.894 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . . . -84.04 -56.25 3.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.468 -0.77 . . . . 0.0 109.909 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -22.48 65.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 0.0 109.703 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -84.62 -47.87 10.08 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.607 -0.683 . . . . 0.0 109.759 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.54 -126.94 0.25 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.424 -0.797 . . . . 0.0 109.999 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.261 0 O-C-N 119.632 -1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.347 0.594 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.009 ' HB1' ' CD1' ' A' ' 8' ' ' ILE . . . -89.12 57.74 4.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.26 -0.9 . . . . 0.0 110.077 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -138.76 49.64 1.87 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 110.305 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.1 mt -132.42 -80.21 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.845 . . . . 0.0 109.887 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.2 -156.47 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.858 -0.526 . . . . 0.0 109.881 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.494 ' HG3' ' HG3' ' A' ' 7' ' ' LYS . 7.0 ptpp? -134.11 27.88 3.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.184 -0.947 . . . . 0.0 110.228 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.494 ' HG3' ' HG3' ' A' ' 6' ' ' LYS . 39.8 mttt -144.87 109.19 4.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.957 . . . . 0.0 110.044 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.009 ' CD1' ' HB1' ' A' ' 2' ' ' ALA . 2.3 mt -127.69 -26.07 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.197 -0.939 . . . . 0.0 110.513 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.33 -2.45 50.87 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -115.87 -5.96 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.24 -1.153 . . . . 0.0 110.688 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.538 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -104.46 -14.85 22.82 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -30.61 69.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -1.052 . . . . 0.0 110.115 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.94 -67.99 0.39 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.257 -0.902 . . . . 0.0 110.018 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.3 mt -52.1 -25.94 9.97 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.586 0.708 . . . . 0.0 109.717 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.538 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 9.9 t-80 -76.46 -54.06 7.25 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.581 -0.699 . . . . 0.0 109.623 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.46 ' HA ' ' HB2' ' A' ' 19' ' ' LYS . 3.5 m -62.0 -38.03 87.09 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.664 0.745 . . . . 0.0 109.705 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.46 -54.38 44.51 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.706 -0.621 . . . . 0.0 109.896 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.47 -17.67 61.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.208 -0.932 . . . . 0.0 109.976 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -60.82 -61.59 2.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.597 -0.689 . . . . 0.0 109.828 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.527 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 2.5 t80 -83.53 85.84 7.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.51 -0.744 . . . . 0.0 109.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.194 0.521 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.84 115.97 31.44 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.235 -0.916 . . . . 0.0 110.256 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -150.86 120.4 6.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.929 . . . . 0.0 110.271 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.797 ' H ' HD23 ' A' ' 4' ' ' LEU . 1.9 pt? -133.49 14.97 4.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.171 -0.955 . . . . 0.0 110.338 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -91.55 29.66 1.46 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.145 -0.972 . . . . 0.0 109.834 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.86 67.38 1.16 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.418 -0.801 . . . . 0.0 110.185 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 148.47 40.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.118 -0.989 . . . . 0.0 110.564 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.0 -57.28 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.86 . . . . 0.0 109.796 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.84 -32.67 4.48 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.441 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 21.0 mt -94.46 -5.06 10.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 121.392 -1.063 . . . . 0.0 110.151 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.92 -56.15 7.43 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -81.7 7.26 12.9 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.678 -0.895 . . . . 0.0 110.382 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 3.9 t80 -57.99 -51.85 67.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.893 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.66 -15.62 63.21 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-O 121.419 0.628 . . . . 0.0 110.433 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -82.1 -61.32 1.94 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.411 -0.806 . . . . 0.0 110.023 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -11.94 15.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.603 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.2 -56.57 4.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.525 -0.734 . . . . 0.0 109.85 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -69.08 -6.99 31.73 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.27 -0.894 . . . . 0.0 110.053 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -67.33 0.8 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.422 -0.799 . . . . 0.0 110.228 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -82.97 132.31 35.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 110.36 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.0 tptt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.202 0.525 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.3 55.4 5.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.885 . . . . 0.0 109.984 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -141.88 144.7 33.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -0.89 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.2 pp -148.91 40.07 0.88 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.871 . . . . 0.0 110.211 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -22.06 36.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 110.143 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -134.14 43.55 2.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.948 . . . . 0.0 110.19 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.5 86.18 1.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.14 -0.975 . . . . 0.0 110.392 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -126.64 -28.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 0.0 110.207 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.15 -21.66 11.86 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.075 -1.61 . . . . 0.0 109.075 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -95.95 -12.7 8.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.658 -0.907 . . . . 0.0 109.613 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.45 -34.97 9.8 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.801 -1.719 . . . . 0.0 108.801 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -82.65 -19.56 37.97 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.734 -0.862 . . . . 0.0 109.133 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -39.26 82.59 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 121.991 0.9 . . . . 0.0 109.264 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 17.8 mt -63.87 -21.97 66.7 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.832 0.825 . . . . 0.0 109.237 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -68.75 -55.48 11.16 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.661 0.743 . . . . 0.0 109.157 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -18.58 58.54 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.729 0.776 . . . . 0.0 109.408 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -71.79 -39.02 70.19 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.632 -0.668 . . . . 0.0 109.372 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -13.24 59.53 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.662 0.744 . . . . 0.0 109.485 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.45 -34.0 58.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.553 -0.717 . . . . 0.0 109.657 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -115.96 136.8 52.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.39 -0.819 . . . . 0.0 110.209 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.858 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.303 0.573 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.8 -178.98 3.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.21 -0.931 . . . . 0.0 110.414 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 3.6 ptmt -136.39 112.34 9.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.272 -0.892 . . . . 0.0 110.255 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.58 20.43 1.5 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.234 -0.916 . . . . 0.0 110.274 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.26 151.92 24.5 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.228 -0.92 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -131.55 48.19 2.45 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 110.588 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -177.23 162.18 1.92 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -0.927 . . . . 0.0 110.005 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.24 -50.81 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.113 -0.992 . . . . 0.0 110.567 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.83 -51.62 4.1 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mm -76.94 -22.94 14.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 121.741 -0.858 . . . . 0.0 109.359 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.52 -15.35 27.52 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.671 -1.771 . . . . 0.0 108.671 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.76 -40.88 94.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.61 -0.935 . . . . 0.0 109.635 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 3.9 t80 -62.56 -45.01 94.91 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 122.037 0.922 . . . . 0.0 108.903 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -18.21 59.59 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-O 121.707 0.765 . . . . 0.0 109.423 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -84.37 -55.1 4.34 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.67 -0.644 . . . . 0.0 109.535 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -72.33 -9.39 58.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.35 -0.844 . . . . 0.0 109.669 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -80.31 -59.26 2.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.482 -0.761 . . . . 0.0 109.575 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -8.32 52.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.309 -0.869 . . . . 0.0 109.762 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.51 -69.49 0.66 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.476 -0.765 . . . . 0.0 110.302 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -72.09 -50.83 25.02 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.341 -0.85 . . . . 0.0 110.328 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.781 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.296 0.57 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.26 58.96 0.57 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.297 -0.877 . . . . 0.0 110.156 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 2.8 tttm -146.19 -171.69 3.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.455 ' HG ' ' C ' ' A' ' 3' ' ' LYS . 1.5 mt -130.51 19.98 5.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -166.2 0.56 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.463 -0.773 . . . . 0.0 110.44 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -162.04 -41.28 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.453 -0.779 . . . . 0.0 109.857 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.12 169.12 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.391 -0.818 . . . . 0.0 109.879 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.63 -17.08 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.124 -0.985 . . . . 0.0 110.719 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.55 -21.01 40.61 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.846 -1.701 . . . . 0.0 108.846 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 10.3 mt -108.92 -6.89 11.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.644 -0.915 . . . . 0.0 109.862 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.48 -47.3 51.68 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -77.34 -4.61 45.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.743 -0.857 . . . . 0.0 109.824 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.0 t80 -70.54 -65.53 0.72 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.812 0.815 . . . . 0.0 110.174 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -59.81 -16.06 25.43 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.588 0.709 . . . . 0.0 110.25 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.497 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 6.8 t-80 -69.98 -64.4 0.89 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.504 -0.748 . . . . 0.0 109.56 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 p -64.96 -13.41 57.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.192 -0.943 . . . . 0.0 109.437 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.37 -46.26 80.84 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.529 -0.732 . . . . 0.0 109.089 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -74.26 -20.93 59.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.421 -0.799 . . . . 0.0 109.278 179.079 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -72.97 0.46 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.654 -0.654 . . . . 0.0 110.158 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -43.34 8.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.24 -0.912 . . . . 0.0 110.152 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.818 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.219 0.533 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 58.39 -171.29 0.11 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.314 -0.866 . . . . 0.0 110.432 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 51.7 mttm -132.26 73.25 1.52 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.333 -0.855 . . . . 0.0 109.953 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 3' ' ' LYS . 1.2 mp -139.44 48.0 1.86 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.394 -0.816 . . . . 0.0 109.861 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -84.29 31.87 0.5 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.317 -0.864 . . . . 0.0 110.758 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.65 49.8 1.22 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.088 -1.007 . . . . 0.0 110.121 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -154.65 122.5 5.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 110.408 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.95 -55.81 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 0.0 110.189 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.4 -4.36 26.99 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.9 mt -105.5 -6.35 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -1.104 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -56.81 -22.36 40.59 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -64.77 -34.1 77.54 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.426 -1.044 . . . . 0.0 109.971 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.11 -62.83 1.41 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.872 0.844 . . . . 0.0 110.035 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.1 mt -73.06 0.11 12.38 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.314 0.578 . . . . 0.0 110.406 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 12' ' ' LYS . 2.9 t-80 -74.79 -60.6 2.21 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.165 -0.959 . . . . 0.0 109.973 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -6.31 50.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 0.0 109.866 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.52 -49.2 15.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.834 . . . . 0.0 110.071 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -81.41 -17.12 49.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.167 -0.958 . . . . 0.0 109.879 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -74.37 -35.15 63.52 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.567 0.699 . . . . 0.0 109.842 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -89.29 36.05 0.82 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.604 -0.685 . . . . 0.0 110.357 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.918 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.247 0.546 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 54.6 172.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 0.0 109.936 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 60.17 1.62 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 110.147 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.531 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.5 pp -139.57 4.73 2.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.277 -0.89 . . . . 0.0 110.358 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -52.34 150.1 5.03 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.194 -0.941 . . . . 0.0 109.992 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -150.69 71.41 1.04 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 110.314 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HG3' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -135.48 98.1 3.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.233 -0.917 . . . . 0.0 110.361 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mt -139.13 -61.75 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.221 -0.924 . . . . 0.0 110.161 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.12 -0.09 60.16 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.572 ' N ' HD13 ' A' ' 10' ' ' ILE . 4.4 mm -63.65 -10.67 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.243 . . . . 0.0 110.147 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.2 -40.59 8.47 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 9.08 15.66 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.615 -0.932 . . . . 0.0 109.896 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.49 -100.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.432 -0.793 . . . . 0.0 110.879 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.5 pp -67.68 -4.54 12.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.132 -0.98 . . . . 0.0 110.738 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.7 t-80 -63.65 -54.99 27.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.12 -0.987 . . . . 0.0 109.371 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.5 p -68.52 -4.52 15.43 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.395 -0.816 . . . . 0.0 110.384 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -82.48 -51.03 8.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.152 -0.967 . . . . 0.0 110.322 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -23.96 24.29 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.152 -0.968 . . . . 0.0 110.344 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -80.45 -34.8 35.71 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.411 -0.806 . . . . 0.0 109.932 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -116.34 89.1 3.03 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.28 -0.887 . . . . 0.0 110.145 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.247 0.546 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.63 98.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.33 -0.857 . . . . 0.0 110.628 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -163.09 117.96 1.71 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.903 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -134.48 0.95 3.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 110.512 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.89 76.94 0.12 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 109.908 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -135.54 1.87 2.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.327 -0.858 . . . . 0.0 110.563 -179.539 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.97 -162.64 0.22 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.251 -0.906 . . . . 0.0 110.823 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mt -126.43 -41.55 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.607 -0.683 . . . . 0.0 109.65 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.03 -31.68 4.94 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 10' ' ' ILE . 4.0 mm -93.04 -13.31 8.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 O-C-N 121.413 -1.051 . . . . 0.0 110.124 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.86 -9.13 62.18 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -85.36 -50.16 7.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.36 -1.083 . . . . 0.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 17' ' ' ALA . 7.3 t80 -60.04 -54.26 48.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.225 -0.922 . . . . 0.0 110.587 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 14' ' ' LEU . 2.5 mt -47.76 -23.69 0.78 Allowed 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.683 0.754 . . . . 0.0 109.705 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.92 -57.2 3.52 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.488 0.661 . . . . 0.0 109.335 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -69.84 -15.58 63.12 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.21 -0.931 . . . . 0.0 109.467 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' PHE . . . -75.1 -44.63 46.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.641 -0.662 . . . . 0.0 109.314 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 10.6 mtpt -78.53 -8.36 58.49 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.489 -0.757 . . . . 0.0 109.783 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -63.55 1.39 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 110.434 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -91.29 -56.87 2.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.021 -1.049 . . . . 0.0 110.315 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.774 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.125 0.488 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.408 ' C ' ' HG2' ' A' ' 3' ' ' LYS . . . -120.75 54.11 1.09 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 110.186 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.2 mmmt -134.43 155.23 50.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.32 -0.862 . . . . 0.0 110.091 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 3' ' ' LYS . 24.3 mt -131.24 9.58 4.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.186 -0.946 . . . . 0.0 110.233 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -87.31 24.63 1.56 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.351 -0.843 . . . . 0.0 110.45 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -158.32 38.26 0.24 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.176 -0.952 . . . . 0.0 110.453 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 26.6 mtmt -151.95 74.91 1.12 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.123 -0.986 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mt -126.58 -63.3 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 109.854 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.97 -17.04 57.06 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mt -116.39 -6.99 12.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.347 -1.09 . . . . 0.0 110.148 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.49 ' O ' HD13 ' A' ' 14' ' ' LEU . . . -102.02 -82.44 1.65 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -37.31 -31.48 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.892 -0.769 . . . . 0.0 111.025 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' GLY . 3.6 t80 -44.94 -86.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.07 -1.019 . . . . 0.0 110.045 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.811 HD22 ' C ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.68 2.15 4.47 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.543 -0.723 . . . . 0.0 110.994 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' N ' HD13 ' A' ' 14' ' ' LEU . 2.1 t-80 -63.48 -54.03 42.76 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.0 -1.062 . . . . 0.0 109.431 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 p -63.11 -20.51 65.43 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.678 0.751 . . . . 0.0 109.835 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.05 -46.04 31.18 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.509 0.671 . . . . 0.0 109.265 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 2.2 tttm -74.31 -15.54 60.95 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.43 -0.794 . . . . 0.0 109.593 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -32.81 54.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.598 -0.689 . . . . 0.0 109.655 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -115.76 36.39 4.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.464 -0.773 . . . . 0.0 110.175 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.934 0.397 . . . . 0.0 110.053 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 1' ' ' LYS . . . 178.43 108.39 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.955 -1.091 . . . . 0.0 110.376 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 10.3 mtpt -136.19 176.41 8.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.377 -0.827 . . . . 0.0 109.892 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.527 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -137.97 42.83 2.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.04 -1.038 . . . . 0.0 110.791 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -50.1 42.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.912 -1.117 . . . . 0.0 109.248 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 7.8 tttt -130.64 20.8 5.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.331 -0.856 . . . . 0.0 109.61 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -134.66 141.18 46.5 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.445 -0.784 . . . . 0.0 109.816 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.65 -59.74 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.095 -1.003 . . . . 0.0 111.095 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.47 -11.74 26.51 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.436 HG22 ' HB2' ' A' ' 13' ' ' PHE . 17.4 mt -93.08 -4.31 10.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 121.395 -1.062 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -48.4 -23.58 3.15 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -5.93 48.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.384 -1.068 . . . . 0.0 109.876 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' HB2' HG22 ' A' ' 10' ' ' ILE . 81.5 t80 -53.71 -68.43 0.18 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 122.153 0.978 . . . . 0.0 110.272 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -23.98 0.41 Allowed 'General case' 0 C--N 1.291 -1.955 0 CA-C-O 121.668 0.746 . . . . 0.0 109.834 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.1 t-80 -81.94 -55.88 4.31 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.574 -0.704 . . . . 0.0 109.891 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.3 m -68.8 -20.83 64.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.185 -0.947 . . . . 0.0 109.815 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.23 -54.55 12.3 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.675 -0.64 . . . . 0.0 109.488 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -74.84 -4.5 38.17 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.426 -0.796 . . . . 0.0 109.869 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 24.9 tttm -75.91 -60.04 2.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.831 . . . . 0.0 110.477 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -83.12 -19.07 37.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.364 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.203 0.525 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.95 -171.53 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.201 -0.937 . . . . 0.0 110.192 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 2.1 ptmm? -171.18 128.93 0.72 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 0.0 110.182 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.1 pp -161.05 46.45 0.2 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.258 -0.901 . . . . 0.0 110.273 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -77.54 149.18 34.94 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.181 -0.95 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -148.13 71.69 1.18 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.132 -0.98 . . . . 0.0 110.354 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HE3' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -131.92 -162.49 1.23 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.267 -0.896 . . . . 0.0 110.26 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.8 mt -126.85 -3.85 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.397 -0.815 . . . . 0.0 110.651 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -40.8 -73.58 0.19 Allowed Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.449 HD12 ' HE3' ' A' ' 7' ' ' LYS . 1.2 mp -70.23 -5.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 O-C-N 121.688 -0.889 . . . . 0.0 110.223 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.59 -7.05 67.98 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -85.53 -42.99 13.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.181 -1.188 . . . . 0.0 110.223 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.75 -63.67 1.06 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.266 -0.896 . . . . 0.0 110.543 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 28.6 mt -56.04 -17.35 6.67 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.547 0.689 . . . . 0.0 110.144 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.519 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 5.2 t-80 -63.83 -58.5 6.62 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.611 -0.681 . . . . 0.0 109.939 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -9.0 51.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -67.24 -55.61 13.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.483 -0.761 . . . . 0.0 109.525 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -80.7 -12.87 59.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 0.0 109.856 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -58.34 2.85 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.479 -0.763 . . . . 0.0 109.921 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -81.84 -179.78 7.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.24 -0.913 . . . . 0.0 110.325 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.569 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 2.7 tttp . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.177 0.513 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 61.29 120.28 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 0.0 110.491 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -133.48 169.32 17.13 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.214 -0.929 . . . . 0.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.77 16.31 4.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.22 -0.925 . . . . 0.0 110.5 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.99 77.34 2.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.286 -0.884 . . . . 0.0 110.037 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.35 57.2 0.94 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.141 -0.974 . . . . 0.0 110.596 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 1.1 pttm -140.88 107.63 5.37 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.315 -0.866 . . . . 0.0 109.489 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.629 HG22 ' HB2' ' A' ' 12' ' ' LYS . 4.9 mt -127.22 -31.96 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.272 -0.892 . . . . 0.0 110.488 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.16 -18.24 12.58 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -112.47 -4.64 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.393 -1.063 . . . . 0.0 110.133 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -109.21 -89.32 2.01 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HB2' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -34.22 -40.93 0.1 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.99 -0.711 . . . . 0.0 111.312 -179.07 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -55.05 -75.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.816 -1.177 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -65.3 -9.2 22.26 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.61 -0.681 . . . . 0.0 110.13 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 3.6 t-80 -77.3 -61.26 2.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.452 -0.78 . . . . 0.0 109.592 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 -19.46 64.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.291 -0.881 . . . . 0.0 110.019 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.45 -44.19 12.95 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.54 -0.725 . . . . 0.0 109.566 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' LEU . 7.1 tptp -62.41 -18.45 61.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.533 -0.729 . . . . 0.0 109.821 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -86.09 -65.05 1.05 Allowed 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.444 -0.785 . . . . 0.0 110.456 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.82 49.46 1.02 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.267 -0.896 . . . . 0.0 110.394 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.781 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.278 0.561 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.53 69.05 1.16 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.491 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -137.31 137.91 39.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 110.216 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' N ' HD23 ' A' ' 4' ' ' LEU . 2.2 pt? -147.47 26.47 1.05 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.103 -0.998 . . . . 0.0 110.436 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.77 128.02 34.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.212 -0.93 . . . . 0.0 110.113 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -168.86 -71.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.314 -0.866 . . . . 0.0 109.75 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.502 ' HD3' ' HA2' ' A' ' 11' ' ' GLY . 1.0 OUTLIER 177.78 118.32 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.91 . . . . 0.0 110.426 179.431 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 mt -127.48 -66.39 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.378 -0.826 . . . . 0.0 110.502 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.49 -79.09 0.07 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 10' ' ' ILE . 58.7 mt -77.77 -1.54 4.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 O-C-N 121.803 -0.822 . . . . 0.0 110.338 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.502 ' HA2' ' HD3' ' A' ' 7' ' ' LYS . . . -63.96 -7.35 22.91 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -79.5 -40.29 30.05 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.073 -1.251 . . . . 0.0 110.24 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.16 -54.38 47.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.318 -0.864 . . . . 0.0 110.478 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD13 ' HE2' ' A' ' 7' ' ' LYS . 3.2 mp -65.73 -8.25 20.07 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-O 121.326 0.584 . . . . 0.0 110.771 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.439 ' CE1' ' HE2' ' A' ' 19' ' ' LYS . 4.1 t-80 -78.6 -59.03 2.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.159 -0.963 . . . . 0.0 110.195 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.89 -41.45 97.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.368 -0.832 . . . . 0.0 110.69 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.17 -57.05 14.3 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.526 -0.734 . . . . 0.0 110.185 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -17.64 55.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.138 -0.976 . . . . 0.0 110.076 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -85.73 -64.19 1.19 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.409 -0.807 . . . . 0.0 110.127 179.52 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 86.6 t80 -86.16 36.69 0.69 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.031 -1.043 . . . . 0.0 110.2 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.76 -1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.285 0.564 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.96 106.66 1.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 0.0 110.095 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.49 65.0 1.36 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.112 -0.992 . . . . 0.0 110.505 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.76 4.52 4.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.335 -0.853 . . . . 0.0 109.983 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -77.67 -159.91 0.17 Allowed 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.33 -0.856 . . . . 0.0 110.194 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 13.3 ttmt -129.66 48.06 2.42 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.27 -0.894 . . . . 0.0 109.709 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.58 170.3 14.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.404 -0.81 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.9 mt -128.23 -13.78 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.918 . . . . 0.0 110.527 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.29 -18.36 74.29 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mt -84.3 -5.6 9.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.468 -1.019 . . . . 0.0 110.144 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.32 -27.44 9.26 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 7.21 27.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.345 -1.091 . . . . 0.0 110.245 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 2.2 t80 -80.59 -64.96 1.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 110.586 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -19.29 8.21 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.477 -0.764 . . . . 0.0 110.138 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.08 -65.86 0.75 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.587 -0.695 . . . . 0.0 109.833 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 p -73.93 -0.72 16.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.137 -0.977 . . . . 0.0 109.848 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -79.79 -47.52 15.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.394 -0.816 . . . . 0.0 109.991 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -10.19 47.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.187 -0.945 . . . . 0.0 109.964 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -80.77 -57.17 3.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 109.597 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -70.76 -56.22 6.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.0 110.071 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.925 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.15 0.5 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.3 84.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.308 -0.87 . . . . 0.0 109.95 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.38 67.88 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.337 -0.852 . . . . 0.0 110.229 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 5' ' ' PHE . 3.2 pp -131.08 -7.89 3.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.177 -0.952 . . . . 0.0 110.376 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.699 ' N ' HD12 ' A' ' 4' ' ' LEU . 60.5 t80 -103.75 88.43 3.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.313 -0.867 . . . . 0.0 110.391 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.15 50.79 0.84 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.006 -1.059 . . . . 0.0 110.466 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.37 97.22 4.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.068 -1.02 . . . . 0.0 110.257 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mt -126.88 -33.91 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.463 -0.773 . . . . 0.0 109.826 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 13' ' ' PHE . . . -92.01 -14.48 56.2 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 mt -113.97 -8.69 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.977 . . . . 0.0 109.932 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.481 ' O ' ' CD2' ' A' ' 14' ' ' LEU . . . -84.38 -85.47 0.92 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.834 -1.307 . . . . 0.0 109.834 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 10.2 tptm -61.91 -9.63 7.43 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.667 -0.902 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.656 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.9 t80 -59.26 -43.82 92.45 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.083 -1.011 . . . . 0.0 109.479 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 11' ' ' GLY . 2.8 pp -64.32 -22.54 66.98 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 121.572 0.701 . . . . 0.0 110.144 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 55.7 t-80 -70.6 -72.22 0.21 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.502 -0.749 . . . . 0.0 110.036 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 19' ' ' LYS . 1.8 t -61.34 -15.63 37.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.452 -0.78 . . . . 0.0 109.516 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -72.67 -48.22 40.91 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.667 -0.645 . . . . 0.0 109.459 179.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -80.61 -1.86 43.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.408 -0.807 . . . . 0.0 110.051 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -82.2 -67.03 0.82 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.285 -0.884 . . . . 0.0 110.096 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -112.34 142.62 44.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.387 -0.821 . . . . 0.0 110.199 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.999 -1.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.146 0.498 . . . . 0.0 110.042 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.3 90.23 1.63 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.264 -0.897 . . . . 0.0 110.621 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 4' ' ' LEU . 16.0 tttt -139.35 159.8 41.32 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.292 -0.88 . . . . 0.0 110.017 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.704 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -176.58 61.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.17 -0.956 . . . . 0.0 110.598 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.75 52.44 1.02 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.902 -1.124 . . . . 0.0 110.132 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 4' ' ' LEU . 16.2 pttt -149.6 37.48 0.74 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.31 -0.869 . . . . 0.0 110.095 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -131.53 135.51 47.11 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.373 -0.829 . . . . 0.0 109.798 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 mt -127.1 -38.26 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.176 -0.953 . . . . 0.0 110.083 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -44.77 -77.27 0.1 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 mm -96.38 -3.69 10.22 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 O-C-N 121.803 -0.822 . . . . 0.0 110.044 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -91.62 8.06 79.06 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -84.0 -58.0 2.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.216 -1.167 . . . . 0.0 110.375 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -46.09 -66.68 0.37 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 110.544 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.52 -21.23 2.32 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.596 0.713 . . . . 0.0 110.131 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 6.2 t-80 -67.42 -70.7 0.24 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.649 -0.657 . . . . 0.0 109.6 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 t -70.28 -5.04 24.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.202 -0.936 . . . . 0.0 109.968 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.22 -54.42 14.85 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.461 -0.774 . . . . 0.0 110.214 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -99.93 -3.45 32.31 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.926 . . . . 0.0 110.554 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 2.4 mmtm -86.41 -52.69 5.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -0.947 . . . . 0.0 110.226 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -107.79 -13.65 14.96 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.431 -0.793 . . . . 0.0 110.28 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 31.0 mtpt . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.248 0.547 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 61.53 58.78 1.99 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.182 -0.949 . . . . 0.0 109.83 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -156.21 137.4 13.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.293 -0.879 . . . . 0.0 110.177 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 3' ' ' LYS . 4.9 mt -139.6 43.23 1.99 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -82.21 157.6 23.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.235 -0.916 . . . . 0.0 110.07 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.25 47.59 0.11 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 109.981 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -132.05 112.58 12.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.404 -0.81 . . . . 0.0 109.789 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.2 mt -126.87 -41.93 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.31 -0.869 . . . . 0.0 109.976 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.53 -26.64 5.55 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mt -86.43 -4.35 9.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 121.69 -0.888 . . . . 0.0 109.842 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -61.79 -11.27 29.39 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -70.87 -43.41 68.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -1.122 . . . . 0.0 110.191 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -56.92 -61.53 2.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 110.084 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' HB3' ' HE3' ' A' ' 18' ' ' LYS . 17.6 mt -59.01 -14.05 8.34 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.58 0.705 . . . . 0.0 110.097 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 1.6 t-80 -68.41 -56.33 8.84 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.422 -0.799 . . . . 0.0 109.83 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.4 p -67.51 -9.51 42.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 0.0 110.239 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.39 -46.04 14.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.478 -0.764 . . . . 0.0 110.159 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 14' ' ' LEU . 50.9 mttt -76.12 -16.98 59.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.869 . . . . 0.0 109.949 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 15' ' ' HIS . 11.2 mttm -85.79 -75.46 0.37 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.564 -0.71 . . . . 0.0 110.442 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.18 -68.68 0.79 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.406 -0.809 . . . . 0.0 110.251 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.813 -1.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 2' ' ' ALA . 8.6 ptpp? . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.284 0.564 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 1' ' ' LYS . . . -99.04 69.21 1.74 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.849 . . . . 0.0 109.992 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -170.87 106.82 0.27 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.889 ' N ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -129.39 31.94 4.74 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.256 -0.902 . . . . 0.0 110.519 -179.432 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.21 63.84 0.54 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.271 -0.893 . . . . 0.0 110.179 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -166.92 55.17 0.08 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.4 -0.813 . . . . 0.0 110.04 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.646 ' HB2' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -133.14 150.23 52.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 110.401 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.31 -12.25 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.9 . . . . 0.0 110.35 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.54 5.22 10.84 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.646 HD12 ' HB2' ' A' ' 7' ' ' LYS . 13.2 mt -103.26 -7.92 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.39 -1.065 . . . . 0.0 110.228 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -86.34 -8.77 77.32 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -85.7 -3.64 58.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.335 -1.097 . . . . 0.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -73.82 -87.52 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.281 -0.887 . . . . 0.0 111.847 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.76 -9.98 7.79 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.5 -0.75 . . . . 0.0 111.199 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 16.5 t-80 -78.83 -54.28 6.23 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.107 -0.996 . . . . 0.0 109.929 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -8.25 24.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.231 -0.918 . . . . 0.0 110.057 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.24 -54.33 4.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -72.99 -21.65 60.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.281 -0.887 . . . . 0.0 110.107 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -85.67 -60.55 1.99 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.522 -0.736 . . . . 0.0 110.115 179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -105.83 147.46 28.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.33 -0.856 . . . . 0.0 110.15 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.9 mttm . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.311 0.577 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.2 96.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.92 . . . . 0.0 110.338 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.94 69.39 1.47 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.202 -0.936 . . . . 0.0 109.986 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.17 27.94 0.17 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.296 -0.877 . . . . 0.0 110.532 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.76 5.79 45.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.181 -0.95 . . . . 0.0 109.828 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -142.79 66.33 1.33 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.491 -0.756 . . . . 0.0 109.671 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.31 -164.06 1.43 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.158 -0.964 . . . . 0.0 110.942 -179.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 mt -126.23 -7.37 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.49 -0.756 . . . . 0.0 109.833 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.71 -32.19 57.54 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mt -76.12 -8.49 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.404 -1.057 . . . . 0.0 110.028 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.98 -2.53 90.46 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -76.08 -46.87 26.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -1.165 . . . . 0.0 110.261 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.41 -51.15 65.78 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.208 -0.933 . . . . 0.0 109.758 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 87.3 mt -68.87 -14.1 62.83 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-O 121.379 0.609 . . . . 0.0 110.175 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 66.4 t-80 -64.4 -67.49 0.43 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.445 -0.785 . . . . 0.0 109.056 179.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -61.97 -13.27 23.85 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.56 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -73.67 -55.12 6.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.648 -0.658 . . . . 0.0 109.546 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -60.0 -19.44 52.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.264 -0.897 . . . . 0.0 109.236 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -60.94 1.98 Allowed 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.406 0.622 . . . . 0.0 109.97 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -110.84 36.62 3.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 0.0 110.203 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.19 0.519 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.32 -162.87 1.49 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.156 -0.965 . . . . 0.0 110.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.699 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -131.95 103.52 6.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.106 179.763 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 3' ' ' LYS . 8.1 mt -131.29 22.52 4.8 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.603 0.716 . . . . 0.0 109.141 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -78.29 95.73 5.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.585 -0.697 . . . . 0.0 110.491 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HE3' ' HE2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -163.44 -39.25 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.232 -0.918 . . . . 0.0 110.198 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HE2' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 179.57 96.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 109.601 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 4' ' ' LEU . 2.7 mt -129.87 -69.86 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.113 -0.992 . . . . 0.0 111.05 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.475 ' HA2' ' HE3' ' A' ' 12' ' ' LYS . . . -113.35 -7.55 20.61 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 10' ' ' ILE . 9.3 mt -95.85 -4.58 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.185 -1.185 . . . . 0.0 109.951 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 15' ' ' HIS . . . -100.85 -11.49 40.13 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HE3' ' HA2' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -86.12 1.23 51.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.303 -1.116 . . . . 0.0 110.016 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -59.79 -105.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.364 -0.835 . . . . 0.0 111.031 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 5.6 mt -62.53 -10.68 12.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.989 -1.069 . . . . 0.0 110.52 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 21.5 t-80 -69.41 -57.18 5.6 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.331 -0.856 . . . . 0.0 109.828 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -6.6 53.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.175 -0.953 . . . . 0.0 109.894 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . . . -84.04 -56.25 3.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.468 -0.77 . . . . 0.0 109.909 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -22.48 65.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 0.0 109.703 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -84.62 -47.87 10.08 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.607 -0.683 . . . . 0.0 109.759 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.54 -126.94 0.25 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.424 -0.797 . . . . 0.0 109.999 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.261 0 O-C-N 119.632 -1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_