data_1mgx_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 1mgx _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.588 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.822 . . . . 0.0 110.785 -174.837 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.666 0 CA-C-O 121.747 0.784 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -173.604 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.617 0 CA-C-O 121.313 0.578 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.76 -99.61 0.26 Allowed 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.299 0.571 . . . . 0.0 111.655 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -177.93 148.18 0.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.59 -0.694 . . . . 0.0 110.902 -173.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.739 0 CA-C-O 121.202 0.525 . . . . 0.0 110.755 174.694 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.592 0 CA-C-O 121.894 0.854 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 171.821 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.608 0 CA-C-O 121.518 0.675 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.875 0 O-C-N 121.63 -0.669 . . . . 0.0 112.54 173.021 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.581 0 CA-C-O 121.398 0.618 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-O 121.258 0.551 . . . . 0.0 112.005 -173.689 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.513 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 146.81 -46.29 0.01 OUTLIER 'General case' 0 C--O 1.261 1.666 0 C-N-CA 125.036 1.334 . . . . 0.0 111.519 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.864 0 O-C-N 119.751 -1.843 . . . . 0.0 111.362 171.895 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 0 CA-C-O 123.299 1.523 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -59.39 -19.33 46.17 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.175 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -57.79 -46.29 84.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.04 0.924 . . . . 0.0 110.836 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -68.5 -40.34 80.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.942 0.877 . . . . 0.0 110.99 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -59.81 -30.47 68.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.007 0.908 . . . . 0.0 111.408 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.78 0 CA-C-O 121.236 0.541 . . . . 0.0 109.89 177.454 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 121.615 0.721 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.828 0 C-N-CA 124.793 1.237 . . . . 0.0 110.976 -176.548 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.228 0.537 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.899 0 O-C-N 121.823 -0.548 . . . . 0.0 112.323 -176.778 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.552 0 CA-C-O 121.8 0.809 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -145.63 14.78 1.4 Allowed 'General case' 0 C--O 1.244 0.812 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . 49.9 -165.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.266 1.031 . . . . 0.0 111.108 -174.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.782 0 O-C-N 121.777 -0.577 . . . . 0.0 111.582 179.65 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.223 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 171.449 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.586 0 CA-C-O 121.642 0.734 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.627 0.727 . . . . 0.0 110.185 171.392 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.749 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 -178.238 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.472 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -68.62 157.61 35.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 164.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 111.999 -168.006 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 122.807 1.289 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -64.44 -13.27 50.56 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.102 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -71.06 -37.42 72.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.946 0.879 . . . . 0.0 111.084 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -78.97 -33.45 45.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.824 . . . . 0.0 110.757 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -51.63 -31.8 26.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.191 0.996 . . . . 0.0 111.164 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 121.782 -0.574 . . . . 0.0 110.023 174.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.543 0 CA-C-O 122.246 1.022 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 121.793 0.806 . . . . 0.0 110.383 -174.697 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 122.417 1.103 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.814 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.434 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.63 0.728 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -110.55 -152.23 0.49 Allowed 'General case' 0 C--O 1.247 0.933 0 O-C-N 121.727 -0.608 . . . . 0.0 110.677 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -138.1 160.93 38.1 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.37 1.081 . . . . 0.0 111.96 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.729 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.492 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.816 0.817 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 172.54 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.86 0.838 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 121.65 0.738 . . . . 0.0 111.163 173.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.782 0.801 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.615 0 CA-C-O 121.726 0.774 . . . . 0.0 111.136 -174.282 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.274 0 CA-C-O 122.891 1.329 . . . . 0.0 108.854 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -43.39 -31.17 0.62 Allowed 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.641 167.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 121.24 -0.912 . . . . 0.0 111.044 -174.385 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.443 0 CA-C-O 122.48 1.133 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -67.37 -9.54 42.41 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -74.91 -27.4 60.21 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.957 0.884 . . . . 0.0 110.574 -174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.05 -36.59 55.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.012 0.911 . . . . 0.0 110.917 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -63.5 -35.3 80.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.822 0.82 . . . . 0.0 111.066 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -175.303 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.779 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.873 0 C-N-CA 124.641 1.176 . . . . 0.0 111.106 172.434 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.258 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 121.583 0.706 . . . . 0.0 110.628 176.31 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.469 0 CA-C-O 122.254 1.026 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -137.81 -144.22 0.18 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.376 173.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -122.69 163.6 19.81 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.402 -0.811 . . . . 0.0 110.485 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 O-C-N 121.884 -0.51 . . . . 0.0 112.318 -174.532 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.611 0 CA-C-O 121.837 0.827 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.209 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 170.496 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.648 0 CA-C-O 121.418 0.627 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.83 0 O-C-N 121.858 -0.526 . . . . 0.0 111.985 173.853 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.683 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . . . . . . 0 C--O 1.25 1.11 0 C-N-CA 124.339 1.055 . . . . 0.0 112.578 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' THR . . . . . . . . 0 C--O 1.233 0.214 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 136.1 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 128.565 2.746 . . . . 0.0 109.03 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.731 0 CA-C-O 122.245 1.021 . . . . 0.0 110.87 172.145 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.526 0 CA-C-O 122.44 1.114 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -66.65 -14.9 63.04 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.371 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -77.41 -38.51 49.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.358 1.075 . . . . 0.0 110.673 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.67 -32.1 52.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.63 0.728 . . . . 0.0 111.524 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -61.02 -45.17 95.89 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.824 0.821 . . . . 0.0 111.29 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -178.448 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 122.277 1.037 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.779 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.109 173.395 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.699 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-O 121.455 0.645 . . . . 0.0 111.486 178.666 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.507 0 CA-C-O 122.202 1.001 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.22 -140.96 0.19 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -141.2 161.78 37.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.295 1.045 . . . . 0.0 111.53 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 176.455 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.621 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.339 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 172.428 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.406 0 CA-C-O 122.696 1.236 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.835 171.368 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.437 0 CA-C-O 121.636 0.732 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.754 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.807 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.589 0 CA-C-O 120.754 0.311 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -45.53 -25.99 0.52 Allowed 'General case' 0 C--O 1.241 0.608 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.825 0 CA-C-O 122.08 0.943 . . . . 0.0 112.021 -178.038 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 122.341 1.067 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -81.57 4.76 20.23 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.72 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -89.83 -31.2 17.47 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.991 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -76.25 -32.23 58.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.146 0.974 . . . . 0.0 110.743 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -67.79 -35.49 78.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.302 1.049 . . . . 0.0 111.228 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.85 -175.217 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.846 0 CA-C-O 120.35 0.119 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 C-N-CA 125.537 1.535 . . . . 0.0 110.324 -173.9 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.454 0 CA-C-O 122.141 0.972 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.646 0 CA-C-O 121.683 0.754 . . . . 0.0 111.374 173.14 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.883 0.849 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -131.56 -150.63 0.43 Allowed 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.478 -175.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -118.35 145.6 45.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.218 1.009 . . . . 0.0 111.492 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.704 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.924 174.589 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.608 0 CA-C-O 121.769 0.795 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 171.847 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.473 0 CA-C-O 122.179 0.99 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.374 171.481 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.398 0 CA-C-O 121.994 0.902 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.812 -173.703 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 121.915 0.864 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -42.37 -29.54 0.27 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.74 0 O-C-N 121.651 -0.656 . . . . 0.0 111.759 -173.654 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.037 0.922 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -73.84 1.55 10.36 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -80.57 -30.99 36.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.078 0.942 . . . . 0.0 111.012 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -93.52 27.2 2.7 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.482 0.658 . . . . 0.0 112.262 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -139.06 27.78 2.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.124 1.44 . . . . 0.0 111.454 174.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 O-C-N 120.806 -1.184 . . . . 0.0 108.881 174.496 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 121.674 0.75 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.802 0 CA-C-O 121.596 0.712 . . . . 0.0 112.177 -172.607 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.618 0 CA-C-O 121.589 0.709 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 CA-C-O 122.085 0.945 . . . . 0.0 110.688 -176.362 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.609 0 CA-C-O 121.53 0.681 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -125.54 -105.96 0.34 Allowed 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.953 -0.467 . . . . 0.0 110.757 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -175.7 168.28 3.12 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.245 -0.909 . . . . 0.0 111.065 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.621 0 CA-C-O 121.724 0.773 . . . . 0.0 111.253 174.425 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 121.971 0.891 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.387 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 122.399 1.095 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.758 171.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.621 0 CA-C-O 121.259 0.552 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.635 0 CA-C-O 121.566 0.698 . . . . 0.0 110.753 176.769 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.346 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -49.85 -43.57 49.08 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.999 -1.081 . . . . 0.0 110.137 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.746 0 CA-C-O 122.051 0.929 . . . . 0.0 112.329 -174.311 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 122.434 1.111 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -71.19 -2.15 14.93 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -78.13 -26.5 47.93 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.216 -0.928 . . . . 0.0 111.749 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -88.92 -32.24 17.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.662 0.744 . . . . 0.0 112.063 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -80.13 -35.06 37.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.059 0.933 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.904 0 CA-C-O 125.795 2.712 . . . . 0.0 115.006 178.905 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.96 0.886 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -66.79 -34.52 78.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.008 0.909 . . . . 0.0 110.603 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -133.5 -79.69 0.47 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.945 0.878 . . . . 0.0 110.846 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.85 21.19 3.46 Favored Glycine 0 C--O 1.241 0.573 0 O-C-N 121.894 -0.504 . . . . 0.0 113.339 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 43.99 56.1 4.92 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.704 -0.88 . . . . 0.0 112.347 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -46.2 -61.57 1.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.994 0.902 . . . . 0.0 109.852 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -171.33 23.7 0.01 OUTLIER 'General case' 0 C--O 1.245 0.827 0 CA-C-O 121.537 0.684 . . . . 0.0 111.399 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -125.04 -153.61 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.81 0 O-C-N 121.086 -1.009 . . . . 0.0 110.018 -172.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . 177.84 132.71 0.07 Allowed 'General case' 0 C--O 1.245 0.856 0 O-C-N 121.261 -0.9 . . . . 0.0 110.573 -174.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.68 55.02 0.06 OUTLIER Glycine 0 C--O 1.239 0.444 0 CA-C-O 122.056 0.809 . . . . 0.0 112.551 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -134.87 -178.12 4.94 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -137.63 -54.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.822 . . . . 0.0 110.785 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -54.87 -59.96 4.02 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 121.611 0.719 . . . . 0.0 112.359 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -170.52 -42.86 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 121.381 -0.824 . . . . 0.0 112.039 171.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -81.6 -157.19 0.17 Allowed 'General case' 0 C--O 1.252 1.23 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -173.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . 176.22 139.05 0.06 Allowed 'General case' 0 C--N 1.318 -0.792 0 O-C-N 120.817 -1.177 . . . . 0.0 111.414 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.76 -99.61 0.26 Allowed 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.299 0.571 . . . . 0.0 111.655 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -177.93 148.18 0.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.59 -0.694 . . . . 0.0 110.902 -173.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -61.6 -34.23 75.27 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.202 0.525 . . . . 0.0 110.755 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.54 86.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.894 0.854 . . . . 0.0 109.034 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -48.58 -28.78 3.66 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 171.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -81.33 -43.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.518 0.675 . . . . 0.0 110.537 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -69.25 -14.58 63.03 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.63 -0.669 . . . . 0.0 112.54 173.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -171.45 127.77 0.66 Allowed 'General case' 0 C--N 1.319 -0.733 0 O-C-N 120.608 -1.308 . . . . 0.0 110.837 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -52.93 -46.49 68.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.258 0.551 . . . . 0.0 112.005 -173.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -85.02 101.81 12.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 173.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 146.81 -46.29 0.01 OUTLIER 'General case' 0 C--O 1.261 1.666 0 C-N-CA 125.036 1.334 . . . . 0.0 111.519 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -83.75 -29.88 27.1 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 119.751 -1.843 . . . . 0.0 111.362 171.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -151.21 -44.79 0.12 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 123.299 1.523 . . . . 0.0 109.04 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -59.39 -19.33 46.17 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.175 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -57.79 -46.29 84.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.04 0.924 . . . . 0.0 110.836 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -68.5 -40.34 80.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.942 0.877 . . . . 0.0 110.99 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -59.81 -30.47 68.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.007 0.908 . . . . 0.0 111.408 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -103.58 -146.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.236 0.541 . . . . 0.0 109.89 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.187 0 CA-C-O 122.012 0.91 . . . . 0.0 110.961 -175.534 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.919 0.866 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -50.72 171.85 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.171 0.986 . . . . 0.0 110.859 173.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 76.17 27.08 0.91 Allowed 'General case' 0 C--O 1.246 0.903 0 O-C-N 121.63 -0.669 . . . . 0.0 112.556 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.4 78.09 0.05 OUTLIER Glycine 0 C--N 1.318 -0.417 0 O-C-N 121.498 -0.751 . . . . 0.0 111.621 174.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 51.78 62.24 2.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.597 1.189 . . . . 0.0 110.705 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -93.79 43.3 1.11 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.658 0.742 . . . . 0.0 111.887 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -81.43 0.43 37.62 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.655 172.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -124.53 25.71 3.22 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 O-C-N 121.432 -0.793 . . . . 0.0 112.754 -173.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -70.98 -164.76 0.1 Allowed 'General case' 0 C--O 1.244 0.782 0 O-C-N 121.459 -0.776 . . . . 0.0 110.363 173.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.56 138.27 3.97 Favored Glycine 0 CA--C 1.508 -0.385 0 CA-C-O 122.342 0.968 . . . . 0.0 112.449 -176.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -72.97 -54.57 8.28 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.718 -0.872 . . . . 0.0 111.011 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . 89.28 -51.49 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 124.793 1.237 . . . . 0.0 110.976 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -60.35 -68.57 0.28 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.572 0.701 . . . . 0.0 112.068 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -154.94 -42.6 0.09 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 121.803 -0.561 . . . . 0.0 112.344 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -68.99 -19.79 64.15 Favored 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.823 -0.548 . . . . 0.0 112.323 -176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.78 130.91 45.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.8 0.809 . . . . 0.0 111.014 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -145.63 14.78 1.4 Allowed 'General case' 0 C--O 1.244 0.812 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . 49.9 -165.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.266 1.031 . . . . 0.0 111.108 -174.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -81.73 -24.76 35.92 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 121.777 -0.577 . . . . 0.0 111.582 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.42 82.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.172 0.896 . . . . 0.0 109.145 172.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -48.29 -28.53 3.16 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -79.53 -48.59 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.642 0.734 . . . . 0.0 109.731 173.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -116.51 97.64 6.12 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.627 0.727 . . . . 0.0 110.185 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -31.74 95.88 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 124.315 1.046 . . . . 0.0 112.963 172.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -49.51 -46.23 48.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . 86.7 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 125.131 1.372 . . . . 0.0 107.632 -167.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -68.62 157.61 35.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 164.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . 74.1 -60.99 0.51 Allowed 'General case' 0 C--O 1.258 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 111.999 -168.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -84.96 -34.14 22.49 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 120.376 -1.453 . . . . 0.0 110.201 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -64.44 -13.27 50.56 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.102 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -71.06 -37.42 72.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.946 0.879 . . . . 0.0 111.084 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -78.97 -33.45 45.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.824 . . . . 0.0 110.757 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -51.63 -31.8 26.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.191 0.996 . . . . 0.0 111.164 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -96.51 -145.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 121.782 -0.574 . . . . 0.0 110.023 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.109 0 CA-C-O 122.064 0.935 . . . . 0.0 110.923 -174.844 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.731 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . 69.4 122.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.534 0.683 . . . . 0.0 111.424 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 42.04 -90.99 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 124.975 1.31 . . . . 0.0 112.983 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.3 78.45 0.03 OUTLIER Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -142.36 43.7 1.64 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.944 0.878 . . . . 0.0 110.892 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -88.97 -78.82 0.33 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.54 0.686 . . . . 0.0 111.103 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -167.32 23.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.308 -0.87 . . . . 0.0 111.75 -174.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -96.81 -142.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.246 0.898 0 O-C-N 121.598 -0.689 . . . . 0.0 109.371 -174.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -117.64 112.49 20.58 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.275 -0.891 . . . . 0.0 111.343 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.63 50.17 0.07 OUTLIER Glycine 0 N--CA 1.46 0.286 0 CA-C-O 122.431 1.017 . . . . 0.0 110.83 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -118.31 111.0 18.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.246 1.022 . . . . 0.0 110.666 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -120.95 -56.7 1.92 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.793 0.806 . . . . 0.0 110.383 -174.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -112.2 86.93 2.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.053 174.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -111.39 43.32 1.52 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 122.417 1.103 . . . . 0.0 110.313 -173.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -143.43 -154.9 0.55 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -97.14 103.09 14.99 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.378 -0.826 . . . . 0.0 111.283 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -110.55 -152.23 0.49 Allowed 'General case' 0 C--O 1.247 0.933 0 O-C-N 121.727 -0.608 . . . . 0.0 110.677 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -138.1 160.93 38.1 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.37 1.081 . . . . 0.0 111.96 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -67.68 -19.5 65.19 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.94 -26.83 62.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.816 0.817 . . . . 0.0 110.683 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -46.69 -32.68 3.72 Favored 'General case' 0 C--O 1.25 1.115 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 172.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -77.79 -50.37 20.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.86 0.838 . . . . 0.0 110.195 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -113.96 93.2 4.26 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.65 0.738 . . . . 0.0 111.163 173.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -45.3 105.71 0.06 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.782 0.801 . . . . 0.0 110.935 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -70.44 -35.12 73.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.726 0.774 . . . . 0.0 111.136 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . 157.17 -64.36 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.322 1.449 . . . . 0.0 108.854 -169.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -43.39 -31.17 0.62 Allowed 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.641 167.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -85.56 -73.86 0.43 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.24 -0.912 . . . . 0.0 111.044 -174.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -84.38 -46.27 11.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.48 1.133 . . . . 0.0 110.671 174.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -67.37 -9.54 42.41 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -74.91 -27.4 60.21 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.957 0.884 . . . . 0.0 110.574 -174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.05 -36.59 55.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.012 0.911 . . . . 0.0 110.917 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -63.5 -35.3 80.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.822 0.82 . . . . 0.0 111.066 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -68.2 -9.65 11.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.198 0 CA-C-N 114.526 -1.216 . . . . 0.0 111.08 174.785 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 121.833 0.825 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -135.58 11.04 3.45 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 176.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 51.03 19.48 0.68 Allowed 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.54 -0.725 . . . . 0.0 112.049 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.65 53.09 0.77 Allowed Glycine 0 N--CA 1.464 0.506 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 71.64 78.55 0.16 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.471 1.129 . . . . 0.0 110.698 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -94.41 45.77 1.14 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.95 0.881 . . . . 0.0 111.152 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -156.48 21.44 0.35 Allowed 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.288 -0.883 . . . . 0.0 110.769 174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -116.65 -143.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.867 0 O-C-N 121.563 -0.711 . . . . 0.0 109.729 -172.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -88.23 -138.42 0.11 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 121.088 -1.008 . . . . 0.0 110.169 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.53 -144.99 4.29 Favored Glycine 0 N--CA 1.466 0.653 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.758 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -74.22 -137.1 0.01 OUTLIER 'General case' 0 C--O 1.244 0.779 0 O-C-N 121.711 -0.876 . . . . 0.0 109.972 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . 96.84 -63.18 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 124.641 1.176 . . . . 0.0 111.106 172.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -69.86 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.496 0.665 . . . . 0.0 111.139 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -134.73 -29.93 1.13 Allowed 'General case' 0 C--O 1.253 1.258 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -171.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -69.25 -25.57 64.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.583 0.706 . . . . 0.0 110.628 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -116.76 137.12 52.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.254 1.026 . . . . 0.0 111.97 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -137.81 -144.22 0.18 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.376 173.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -122.69 163.6 19.81 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.402 -0.811 . . . . 0.0 110.485 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -73.86 -20.13 60.52 Favored 'General case' 0 C--O 1.246 0.904 0 O-C-N 121.884 -0.51 . . . . 0.0 112.318 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.36 72.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.837 0.827 . . . . 0.0 109.655 172.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -61.22 -13.6 19.6 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -89.91 -34.32 6.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 O-C-N 121.53 -0.731 . . . . 0.0 110.941 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -87.07 -20.87 26.52 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.858 -0.526 . . . . 0.0 111.985 173.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -142.14 0.86 1.39 Allowed 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.316 -0.865 . . . . 0.0 113.33 173.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . 51.9 -81.94 0.01 OUTLIER 'General case' 0 C--O 1.25 1.11 0 C-N-CA 124.339 1.055 . . . . 0.0 112.578 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' THR . . . 127.49 85.86 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 128.778 2.831 . . . . 0.0 107.636 -163.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 136.1 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 128.565 2.746 . . . . 0.0 109.03 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -70.17 -57.09 5.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.245 1.021 . . . . 0.0 110.87 172.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -80.69 -33.69 35.25 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.44 1.114 . . . . 0.0 110.582 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -66.65 -14.9 63.04 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.371 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -77.41 -38.51 49.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.358 1.075 . . . . 0.0 110.673 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.67 -32.1 52.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.63 0.728 . . . . 0.0 111.524 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -61.02 -45.17 95.89 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.824 0.821 . . . . 0.0 111.29 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -73.81 -9.79 13.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.175 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.979 174.879 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . 76.61 145.44 0.09 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.159 0.981 . . . . 0.0 110.9 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -102.8 25.9 8.7 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.57 -27.22 1.07 Allowed Glycine 0 C--O 1.243 0.679 0 O-C-N 121.596 -0.69 . . . . 0.0 113.209 174.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -96.23 40.45 1.13 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.516 -0.99 . . . . 0.0 111.552 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -76.47 -58.85 3.04 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.89 0.852 . . . . 0.0 110.787 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -91.68 24.22 3.21 Favored 'General case' 0 C--O 1.244 0.804 0 O-C-N 121.678 -0.639 . . . . 0.0 112.65 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -90.71 -18.86 7.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 O-C-N 121.334 -0.854 . . . . 0.0 112.385 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -61.44 -161.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.469 0.652 . . . . 0.0 111.543 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.41 168.28 41.39 Favored Glycine 0 C--O 1.24 0.502 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -174.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -95.88 93.03 6.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.277 1.037 . . . . 0.0 112.043 -173.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -150.05 18.64 0.87 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.109 173.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -53.39 -58.13 8.19 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.802 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -156.78 -38.56 0.08 Allowed 'General case' 0 C--O 1.242 0.699 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -68.95 -29.88 68.2 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.455 0.645 . . . . 0.0 111.486 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -82.17 126.51 32.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.202 1.001 . . . . 0.0 111.256 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.22 -140.96 0.19 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -141.2 161.78 37.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.295 1.045 . . . . 0.0 111.53 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -83.19 -15.48 50.36 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.0 -26.09 63.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 175.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -55.91 -26.73 48.84 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -57.01 -38.72 61.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.696 1.236 . . . . 0.0 109.385 174.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 33' ' ' CGU . . . -113.22 84.51 2.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.835 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -63.61 88.44 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.242 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -56.0 -20.14 15.39 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -52.51 -59.19 4.75 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.227 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -45.53 -25.99 0.52 Allowed 'General case' 0 C--O 1.241 0.608 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -79.07 -63.77 1.34 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.08 0.943 . . . . 0.0 112.021 -178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -86.61 -37.23 18.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.341 1.067 . . . . 0.0 110.363 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -81.57 4.76 20.23 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.72 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -89.83 -31.2 17.47 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.991 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -76.25 -32.23 58.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.146 0.974 . . . . 0.0 110.743 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -67.79 -35.49 78.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.302 1.049 . . . . 0.0 111.228 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -129.21 -138.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.85 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.117 0 CA-C-O 121.981 0.896 . . . . 0.0 111.048 174.626 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.92 0.867 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -116.99 38.1 3.62 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.82 0.819 . . . . 0.0 110.94 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 53.65 21.61 2.68 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.829 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.37 32.27 6.1 Favored Glycine 0 C--O 1.24 0.496 0 O-C-N 121.41 -0.806 . . . . 0.0 112.637 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 52.1 66.24 1.26 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 123.015 1.388 . . . . 0.0 110.608 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -87.81 30.61 0.82 Allowed 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.017 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -114.92 30.49 7.31 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.04 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -72.54 2.54 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.798 0 O-C-N 121.362 -0.836 . . . . 0.0 113.249 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . 76.94 99.23 0.07 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.217 1.008 . . . . 0.0 111.756 173.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.44 93.9 0.09 OUTLIER Glycine 0 C--O 1.237 0.297 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -84.4 -139.15 0.06 Allowed 'General case' 0 C--O 1.245 0.846 0 O-C-N 122.01 -0.7 . . . . 0.0 110.713 -173.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . 91.75 -23.22 0.08 Allowed 'General case' 0 C--O 1.25 1.128 0 C-N-CA 125.537 1.535 . . . . 0.0 110.324 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -99.69 129.14 45.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.855 169.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -143.3 63.74 1.36 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.141 0.972 . . . . 0.0 111.561 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -159.25 -41.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.683 0.754 . . . . 0.0 111.374 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -77.8 122.42 25.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.883 0.849 . . . . 0.0 111.087 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -131.56 -150.63 0.43 Allowed 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.478 -175.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -118.35 145.6 45.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.218 1.009 . . . . 0.0 111.492 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -51.58 -29.05 15.81 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.924 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.76 87.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 119.163 0.892 . . . . 0.0 108.988 172.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -43.51 -27.33 0.27 Allowed 'General case' 0 C--O 1.249 1.047 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 171.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -61.04 -45.55 98.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 122.179 0.99 . . . . 0.0 109.647 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -119.02 98.87 6.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.374 171.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -38.1 105.86 0.04 OUTLIER 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.994 0.902 . . . . 0.0 110.177 170.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -56.78 -36.54 69.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.812 -173.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -69.43 -49.43 55.18 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.915 0.864 . . . . 0.0 109.383 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -42.37 -29.54 0.27 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -89.72 -75.56 0.44 Allowed 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.651 -0.656 . . . . 0.0 111.759 -173.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -73.61 -41.95 62.14 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.037 0.922 . . . . 0.0 110.791 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -73.84 1.55 10.36 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -80.57 -30.99 36.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.078 0.942 . . . . 0.0 111.012 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -93.52 27.2 2.7 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.482 0.658 . . . . 0.0 112.262 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -139.06 27.78 2.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.124 1.44 . . . . 0.0 111.454 174.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -138.98 -145.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.868 0 O-C-N 120.806 -1.184 . . . . 0.0 108.881 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.164 0 CA-C-O 121.994 0.902 . . . . 0.0 110.977 -175.298 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.597 0.713 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 3' ' ' SER . . . 57.35 177.88 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.49 0.662 . . . . 0.0 110.525 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 2' ' ' ASN . . . -12.8 -75.61 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 125.758 1.623 . . . . 0.0 113.964 -175.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.2 79.66 0.09 OUTLIER Glycine 0 C--O 1.242 0.626 0 CA-C-O 121.737 0.632 . . . . 0.0 113.866 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -101.14 18.63 19.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.576 1.179 . . . . 0.0 112.262 172.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -59.18 105.28 0.32 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 123.651 1.691 . . . . 0.0 112.963 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . 64.57 28.03 13.33 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 124.67 2.176 . . . . 0.0 107.165 -163.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -63.58 -98.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.111 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . 133.12 13.38 0.0 OUTLIER 'General case' 0 C--O 1.247 0.966 0 C-N-CA 127.825 2.45 . . . . 0.0 113.983 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.07 147.41 5.24 Favored Glycine 0 N--CA 1.464 0.543 0 C-N-CA 120.09 -1.052 . . . . 0.0 114.013 -173.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -128.34 109.42 11.43 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.704 -0.88 . . . . 0.0 110.038 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -131.95 -52.64 0.98 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.596 0.712 . . . . 0.0 112.177 -172.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -52.42 -56.68 13.41 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.495 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -171.67 28.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.589 0.709 . . . . 0.0 110.961 171.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -140.23 -59.99 0.53 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.085 0.945 . . . . 0.0 110.688 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -130.47 141.13 50.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.53 0.681 . . . . 0.0 110.807 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -125.54 -105.96 0.34 Allowed 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.953 -0.467 . . . . 0.0 110.757 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -175.7 168.28 3.12 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.245 -0.909 . . . . 0.0 111.065 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -86.04 -21.39 27.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.724 0.773 . . . . 0.0 111.253 174.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -23.61 61.54 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.971 0.891 . . . . 0.0 110.398 173.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -75.34 14.82 0.52 Allowed 'General case' 0 C--O 1.25 1.081 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -56.53 -43.25 77.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 122.399 1.095 . . . . 0.0 109.588 173.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -123.66 99.61 6.38 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.758 171.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -50.85 122.16 6.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.687 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -85.75 -26.92 25.57 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.566 0.698 . . . . 0.0 110.753 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . 168.98 -69.81 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.51 1.124 . . . . 0.0 109.616 -170.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -49.85 -43.57 49.08 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.999 -1.081 . . . . 0.0 110.137 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -67.82 -58.6 4.32 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.051 0.929 . . . . 0.0 112.329 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -87.92 -37.51 16.38 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.434 1.111 . . . . 0.0 110.989 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -71.19 -2.15 14.93 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -78.13 -26.5 47.93 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.216 -0.928 . . . . 0.0 111.749 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -88.92 -32.24 17.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.662 0.744 . . . . 0.0 112.063 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -80.13 -35.06 37.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.059 0.933 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -34.7 156.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 125.795 2.712 . . . . 0.0 115.006 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.098 0 CA-C-N 112.408 -2.178 . . . . 0.0 111.046 -175.215 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.588 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.822 . . . . 0.0 110.785 -174.837 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.666 0 CA-C-O 121.747 0.784 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -173.604 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.617 0 CA-C-O 121.313 0.578 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.76 -99.61 0.26 Allowed 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.299 0.571 . . . . 0.0 111.655 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -177.93 148.18 0.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.59 -0.694 . . . . 0.0 110.902 -173.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.739 0 CA-C-O 121.202 0.525 . . . . 0.0 110.755 174.694 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.592 0 CA-C-O 121.894 0.854 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 171.821 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.608 0 CA-C-O 121.518 0.675 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.875 0 O-C-N 121.63 -0.669 . . . . 0.0 112.54 173.021 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.581 0 CA-C-O 121.398 0.618 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-O 121.258 0.551 . . . . 0.0 112.005 -173.689 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.513 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 146.81 -46.29 0.01 OUTLIER 'General case' 0 C--O 1.261 1.666 0 C-N-CA 125.036 1.334 . . . . 0.0 111.519 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.864 0 O-C-N 119.751 -1.843 . . . . 0.0 111.362 171.895 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 0 CA-C-O 123.299 1.523 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -59.39 -19.33 46.17 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.175 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -57.79 -46.29 84.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.04 0.924 . . . . 0.0 110.836 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -68.5 -40.34 80.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.942 0.877 . . . . 0.0 110.99 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -59.81 -30.47 68.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.007 0.908 . . . . 0.0 111.408 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.78 0 CA-C-O 121.236 0.541 . . . . 0.0 109.89 177.454 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 121.615 0.721 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.828 0 C-N-CA 124.793 1.237 . . . . 0.0 110.976 -176.548 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.228 0.537 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.899 0 O-C-N 121.823 -0.548 . . . . 0.0 112.323 -176.778 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.552 0 CA-C-O 121.8 0.809 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -145.63 14.78 1.4 Allowed 'General case' 0 C--O 1.244 0.812 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . 49.9 -165.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.266 1.031 . . . . 0.0 111.108 -174.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.782 0 O-C-N 121.777 -0.577 . . . . 0.0 111.582 179.65 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.223 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 171.449 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.586 0 CA-C-O 121.642 0.734 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.627 0.727 . . . . 0.0 110.185 171.392 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.749 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 -178.238 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.472 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -68.62 157.61 35.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 164.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 111.999 -168.006 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 122.807 1.289 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -64.44 -13.27 50.56 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.102 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -71.06 -37.42 72.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.946 0.879 . . . . 0.0 111.084 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -78.97 -33.45 45.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.824 . . . . 0.0 110.757 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -51.63 -31.8 26.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.191 0.996 . . . . 0.0 111.164 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 121.782 -0.574 . . . . 0.0 110.023 174.938 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.543 0 CA-C-O 122.246 1.022 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 121.793 0.806 . . . . 0.0 110.383 -174.697 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 122.417 1.103 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.814 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.434 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.63 0.728 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -110.55 -152.23 0.49 Allowed 'General case' 0 C--O 1.247 0.933 0 O-C-N 121.727 -0.608 . . . . 0.0 110.677 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -138.1 160.93 38.1 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.37 1.081 . . . . 0.0 111.96 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.729 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.492 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.816 0.817 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 172.54 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.86 0.838 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 121.65 0.738 . . . . 0.0 111.163 173.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.782 0.801 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.615 0 CA-C-O 121.726 0.774 . . . . 0.0 111.136 -174.282 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.274 0 CA-C-O 122.891 1.329 . . . . 0.0 108.854 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -43.39 -31.17 0.62 Allowed 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.641 167.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 121.24 -0.912 . . . . 0.0 111.044 -174.385 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.443 0 CA-C-O 122.48 1.133 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -67.37 -9.54 42.41 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -74.91 -27.4 60.21 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.957 0.884 . . . . 0.0 110.574 -174.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.05 -36.59 55.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.012 0.911 . . . . 0.0 110.917 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -63.5 -35.3 80.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.822 0.82 . . . . 0.0 111.066 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -175.303 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.779 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.873 0 C-N-CA 124.641 1.176 . . . . 0.0 111.106 172.434 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.258 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 121.583 0.706 . . . . 0.0 110.628 176.31 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.469 0 CA-C-O 122.254 1.026 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -137.81 -144.22 0.18 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.376 173.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -122.69 163.6 19.81 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.402 -0.811 . . . . 0.0 110.485 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 O-C-N 121.884 -0.51 . . . . 0.0 112.318 -174.532 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.611 0 CA-C-O 121.837 0.827 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.209 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 170.496 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.648 0 CA-C-O 121.418 0.627 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.83 0 O-C-N 121.858 -0.526 . . . . 0.0 111.985 173.853 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.683 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . . . . . . 0 C--O 1.25 1.11 0 C-N-CA 124.339 1.055 . . . . 0.0 112.578 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' THR . . . . . . . . 0 C--O 1.233 0.214 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 136.1 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 128.565 2.746 . . . . 0.0 109.03 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.731 0 CA-C-O 122.245 1.021 . . . . 0.0 110.87 172.145 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.526 0 CA-C-O 122.44 1.114 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -66.65 -14.9 63.04 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.371 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -77.41 -38.51 49.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.358 1.075 . . . . 0.0 110.673 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.67 -32.1 52.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.63 0.728 . . . . 0.0 111.524 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -61.02 -45.17 95.89 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.824 0.821 . . . . 0.0 111.29 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -178.448 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 122.277 1.037 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.779 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.109 173.395 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.699 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-O 121.455 0.645 . . . . 0.0 111.486 178.666 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.507 0 CA-C-O 122.202 1.001 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.22 -140.96 0.19 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -141.2 161.78 37.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.295 1.045 . . . . 0.0 111.53 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 176.455 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.621 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.339 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 172.428 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.406 0 CA-C-O 122.696 1.236 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.835 171.368 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.437 0 CA-C-O 121.636 0.732 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.754 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.807 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.589 0 CA-C-O 120.754 0.311 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -45.53 -25.99 0.52 Allowed 'General case' 0 C--O 1.241 0.608 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.825 0 CA-C-O 122.08 0.943 . . . . 0.0 112.021 -178.038 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 122.341 1.067 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -81.57 4.76 20.23 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.72 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -89.83 -31.2 17.47 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.991 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -76.25 -32.23 58.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.146 0.974 . . . . 0.0 110.743 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -67.79 -35.49 78.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.302 1.049 . . . . 0.0 111.228 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.85 -175.217 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.846 0 CA-C-O 120.35 0.119 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 C-N-CA 125.537 1.535 . . . . 0.0 110.324 -173.9 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.454 0 CA-C-O 122.141 0.972 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.646 0 CA-C-O 121.683 0.754 . . . . 0.0 111.374 173.14 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.883 0.849 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -131.56 -150.63 0.43 Allowed 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.478 -175.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -118.35 145.6 45.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.218 1.009 . . . . 0.0 111.492 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.704 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.924 174.589 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.608 0 CA-C-O 121.769 0.795 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 171.847 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.473 0 CA-C-O 122.179 0.99 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.374 171.481 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.398 0 CA-C-O 121.994 0.902 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.812 -173.703 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 121.915 0.864 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -42.37 -29.54 0.27 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.74 0 O-C-N 121.651 -0.656 . . . . 0.0 111.759 -173.654 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.037 0.922 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -73.84 1.55 10.36 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -80.57 -30.99 36.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.078 0.942 . . . . 0.0 111.012 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -93.52 27.2 2.7 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.482 0.658 . . . . 0.0 112.262 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -139.06 27.78 2.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.124 1.44 . . . . 0.0 111.454 174.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 O-C-N 120.806 -1.184 . . . . 0.0 108.881 174.496 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 121.674 0.75 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.802 0 CA-C-O 121.596 0.712 . . . . 0.0 112.177 -172.607 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.618 0 CA-C-O 121.589 0.709 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 CA-C-O 122.085 0.945 . . . . 0.0 110.688 -176.362 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.609 0 CA-C-O 121.53 0.681 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -125.54 -105.96 0.34 Allowed 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.953 -0.467 . . . . 0.0 110.757 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -175.7 168.28 3.12 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.245 -0.909 . . . . 0.0 111.065 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.621 0 CA-C-O 121.724 0.773 . . . . 0.0 111.253 174.425 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 121.971 0.891 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.387 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 122.399 1.095 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.758 171.923 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.621 0 CA-C-O 121.259 0.552 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.635 0 CA-C-O 121.566 0.698 . . . . 0.0 110.753 176.769 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.346 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -49.85 -43.57 49.08 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.999 -1.081 . . . . 0.0 110.137 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.746 0 CA-C-O 122.051 0.929 . . . . 0.0 112.329 -174.311 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 122.434 1.111 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -71.19 -2.15 14.93 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -78.13 -26.5 47.93 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.216 -0.928 . . . . 0.0 111.749 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -88.92 -32.24 17.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.662 0.744 . . . . 0.0 112.063 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -80.13 -35.06 37.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.059 0.933 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.904 0 CA-C-O 125.795 2.712 . . . . 0.0 115.006 178.905 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.96 0.886 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -66.79 -34.52 78.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.008 0.909 . . . . 0.0 110.603 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -133.5 -79.69 0.47 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.945 0.878 . . . . 0.0 110.846 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.85 21.19 3.46 Favored Glycine 0 C--O 1.241 0.573 0 O-C-N 121.894 -0.504 . . . . 0.0 113.339 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 43.99 56.1 4.92 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.704 -0.88 . . . . 0.0 112.347 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -46.2 -61.57 1.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.994 0.902 . . . . 0.0 109.852 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -171.33 23.7 0.01 OUTLIER 'General case' 0 C--O 1.245 0.827 0 CA-C-O 121.537 0.684 . . . . 0.0 111.399 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -125.04 -153.61 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.81 0 O-C-N 121.086 -1.009 . . . . 0.0 110.018 -172.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . 177.84 132.71 0.07 Allowed 'General case' 0 C--O 1.245 0.856 0 O-C-N 121.261 -0.9 . . . . 0.0 110.573 -174.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.68 55.02 0.06 OUTLIER Glycine 0 C--O 1.239 0.444 0 CA-C-O 122.056 0.809 . . . . 0.0 112.551 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -134.87 -178.12 4.94 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 174.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -137.63 -54.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.822 . . . . 0.0 110.785 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -54.87 -59.96 4.02 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 121.611 0.719 . . . . 0.0 112.359 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -170.52 -42.86 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 121.381 -0.824 . . . . 0.0 112.039 171.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -81.6 -157.19 0.17 Allowed 'General case' 0 C--O 1.252 1.23 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -173.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . 176.22 139.05 0.06 Allowed 'General case' 0 C--N 1.318 -0.792 0 O-C-N 120.817 -1.177 . . . . 0.0 111.414 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.76 -99.61 0.26 Allowed 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.299 0.571 . . . . 0.0 111.655 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -177.93 148.18 0.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.59 -0.694 . . . . 0.0 110.902 -173.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -61.6 -34.23 75.27 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.202 0.525 . . . . 0.0 110.755 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.54 86.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.894 0.854 . . . . 0.0 109.034 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -48.58 -28.78 3.66 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 171.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -81.33 -43.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.518 0.675 . . . . 0.0 110.537 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -69.25 -14.58 63.03 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.63 -0.669 . . . . 0.0 112.54 173.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -171.45 127.77 0.66 Allowed 'General case' 0 C--N 1.319 -0.733 0 O-C-N 120.608 -1.308 . . . . 0.0 110.837 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -52.93 -46.49 68.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.258 0.551 . . . . 0.0 112.005 -173.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -85.02 101.81 12.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 173.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 146.81 -46.29 0.01 OUTLIER 'General case' 0 C--O 1.261 1.666 0 C-N-CA 125.036 1.334 . . . . 0.0 111.519 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -83.75 -29.88 27.1 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 119.751 -1.843 . . . . 0.0 111.362 171.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -151.21 -44.79 0.12 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 123.299 1.523 . . . . 0.0 109.04 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -59.39 -19.33 46.17 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.175 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -57.79 -46.29 84.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.04 0.924 . . . . 0.0 110.836 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -68.5 -40.34 80.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.942 0.877 . . . . 0.0 110.99 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -59.81 -30.47 68.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.007 0.908 . . . . 0.0 111.408 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -103.58 -146.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.236 0.541 . . . . 0.0 109.89 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.187 0 CA-C-O 122.012 0.91 . . . . 0.0 110.961 -175.534 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.919 0.866 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -50.72 171.85 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.171 0.986 . . . . 0.0 110.859 173.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 76.17 27.08 0.91 Allowed 'General case' 0 C--O 1.246 0.903 0 O-C-N 121.63 -0.669 . . . . 0.0 112.556 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.4 78.09 0.05 OUTLIER Glycine 0 C--N 1.318 -0.417 0 O-C-N 121.498 -0.751 . . . . 0.0 111.621 174.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 51.78 62.24 2.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.597 1.189 . . . . 0.0 110.705 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -93.79 43.3 1.11 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.658 0.742 . . . . 0.0 111.887 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -81.43 0.43 37.62 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.655 172.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -124.53 25.71 3.22 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 O-C-N 121.432 -0.793 . . . . 0.0 112.754 -173.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -70.98 -164.76 0.1 Allowed 'General case' 0 C--O 1.244 0.782 0 O-C-N 121.459 -0.776 . . . . 0.0 110.363 173.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.56 138.27 3.97 Favored Glycine 0 CA--C 1.508 -0.385 0 CA-C-O 122.342 0.968 . . . . 0.0 112.449 -176.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -72.97 -54.57 8.28 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.718 -0.872 . . . . 0.0 111.011 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . 89.28 -51.49 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 124.793 1.237 . . . . 0.0 110.976 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -60.35 -68.57 0.28 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.572 0.701 . . . . 0.0 112.068 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -154.94 -42.6 0.09 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 121.803 -0.561 . . . . 0.0 112.344 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -68.99 -19.79 64.15 Favored 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.823 -0.548 . . . . 0.0 112.323 -176.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.78 130.91 45.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.8 0.809 . . . . 0.0 111.014 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -145.63 14.78 1.4 Allowed 'General case' 0 C--O 1.244 0.812 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . 49.9 -165.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.266 1.031 . . . . 0.0 111.108 -174.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -81.73 -24.76 35.92 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 121.777 -0.577 . . . . 0.0 111.582 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.42 82.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.172 0.896 . . . . 0.0 109.145 172.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -48.29 -28.53 3.16 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -79.53 -48.59 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.642 0.734 . . . . 0.0 109.731 173.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -116.51 97.64 6.12 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.627 0.727 . . . . 0.0 110.185 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -31.74 95.88 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 124.315 1.046 . . . . 0.0 112.963 172.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -49.51 -46.23 48.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . 86.7 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 125.131 1.372 . . . . 0.0 107.632 -167.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -68.62 157.61 35.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 164.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . 74.1 -60.99 0.51 Allowed 'General case' 0 C--O 1.258 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 111.999 -168.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -84.96 -34.14 22.49 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 120.376 -1.453 . . . . 0.0 110.201 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -64.44 -13.27 50.56 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.102 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -71.06 -37.42 72.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.946 0.879 . . . . 0.0 111.084 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -78.97 -33.45 45.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.824 . . . . 0.0 110.757 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -51.63 -31.8 26.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.191 0.996 . . . . 0.0 111.164 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -96.51 -145.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 121.782 -0.574 . . . . 0.0 110.023 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.109 0 CA-C-O 122.064 0.935 . . . . 0.0 110.923 -174.844 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.731 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . 69.4 122.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.534 0.683 . . . . 0.0 111.424 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 42.04 -90.99 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 124.975 1.31 . . . . 0.0 112.983 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.3 78.45 0.03 OUTLIER Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -142.36 43.7 1.64 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.944 0.878 . . . . 0.0 110.892 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -88.97 -78.82 0.33 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.54 0.686 . . . . 0.0 111.103 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -167.32 23.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.308 -0.87 . . . . 0.0 111.75 -174.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -96.81 -142.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.246 0.898 0 O-C-N 121.598 -0.689 . . . . 0.0 109.371 -174.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -117.64 112.49 20.58 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.275 -0.891 . . . . 0.0 111.343 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.63 50.17 0.07 OUTLIER Glycine 0 N--CA 1.46 0.286 0 CA-C-O 122.431 1.017 . . . . 0.0 110.83 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -118.31 111.0 18.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.246 1.022 . . . . 0.0 110.666 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -120.95 -56.7 1.92 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.793 0.806 . . . . 0.0 110.383 -174.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -112.2 86.93 2.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.053 174.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -111.39 43.32 1.52 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 122.417 1.103 . . . . 0.0 110.313 -173.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -143.43 -154.9 0.55 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -97.14 103.09 14.99 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.378 -0.826 . . . . 0.0 111.283 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -110.55 -152.23 0.49 Allowed 'General case' 0 C--O 1.247 0.933 0 O-C-N 121.727 -0.608 . . . . 0.0 110.677 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -138.1 160.93 38.1 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.37 1.081 . . . . 0.0 111.96 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -67.68 -19.5 65.19 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.94 -26.83 62.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.816 0.817 . . . . 0.0 110.683 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -46.69 -32.68 3.72 Favored 'General case' 0 C--O 1.25 1.115 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 172.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -77.79 -50.37 20.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.86 0.838 . . . . 0.0 110.195 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -113.96 93.2 4.26 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.65 0.738 . . . . 0.0 111.163 173.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -45.3 105.71 0.06 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.782 0.801 . . . . 0.0 110.935 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -70.44 -35.12 73.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.726 0.774 . . . . 0.0 111.136 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . 157.17 -64.36 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.322 1.449 . . . . 0.0 108.854 -169.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -43.39 -31.17 0.62 Allowed 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.641 167.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -85.56 -73.86 0.43 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.24 -0.912 . . . . 0.0 111.044 -174.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -84.38 -46.27 11.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.48 1.133 . . . . 0.0 110.671 174.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -67.37 -9.54 42.41 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -74.91 -27.4 60.21 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.957 0.884 . . . . 0.0 110.574 -174.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.05 -36.59 55.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.012 0.911 . . . . 0.0 110.917 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -63.5 -35.3 80.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.822 0.82 . . . . 0.0 111.066 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -68.2 -9.65 11.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.198 0 CA-C-N 114.526 -1.216 . . . . 0.0 111.08 174.785 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 121.833 0.825 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -135.58 11.04 3.45 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 176.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 51.03 19.48 0.68 Allowed 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.54 -0.725 . . . . 0.0 112.049 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.65 53.09 0.77 Allowed Glycine 0 N--CA 1.464 0.506 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -174.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 71.64 78.55 0.16 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.471 1.129 . . . . 0.0 110.698 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -94.41 45.77 1.14 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.95 0.881 . . . . 0.0 111.152 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -156.48 21.44 0.35 Allowed 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.288 -0.883 . . . . 0.0 110.769 174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -116.65 -143.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.867 0 O-C-N 121.563 -0.711 . . . . 0.0 109.729 -172.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -88.23 -138.42 0.11 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 121.088 -1.008 . . . . 0.0 110.169 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.53 -144.99 4.29 Favored Glycine 0 N--CA 1.466 0.653 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.758 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -74.22 -137.1 0.01 OUTLIER 'General case' 0 C--O 1.244 0.779 0 O-C-N 121.711 -0.876 . . . . 0.0 109.972 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . 96.84 -63.18 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 124.641 1.176 . . . . 0.0 111.106 172.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -69.86 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.496 0.665 . . . . 0.0 111.139 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -134.73 -29.93 1.13 Allowed 'General case' 0 C--O 1.253 1.258 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -171.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -69.25 -25.57 64.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.583 0.706 . . . . 0.0 110.628 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -116.76 137.12 52.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.254 1.026 . . . . 0.0 111.97 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -137.81 -144.22 0.18 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.376 173.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -122.69 163.6 19.81 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.402 -0.811 . . . . 0.0 110.485 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -73.86 -20.13 60.52 Favored 'General case' 0 C--O 1.246 0.904 0 O-C-N 121.884 -0.51 . . . . 0.0 112.318 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.36 72.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.837 0.827 . . . . 0.0 109.655 172.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -61.22 -13.6 19.6 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -89.91 -34.32 6.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 O-C-N 121.53 -0.731 . . . . 0.0 110.941 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -87.07 -20.87 26.52 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.858 -0.526 . . . . 0.0 111.985 173.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -142.14 0.86 1.39 Allowed 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.316 -0.865 . . . . 0.0 113.33 173.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . 51.9 -81.94 0.01 OUTLIER 'General case' 0 C--O 1.25 1.11 0 C-N-CA 124.339 1.055 . . . . 0.0 112.578 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' THR . . . 127.49 85.86 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 128.778 2.831 . . . . 0.0 107.636 -163.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 136.1 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 128.565 2.746 . . . . 0.0 109.03 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -70.17 -57.09 5.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.245 1.021 . . . . 0.0 110.87 172.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -80.69 -33.69 35.25 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.44 1.114 . . . . 0.0 110.582 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -66.65 -14.9 63.04 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.371 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -77.41 -38.51 49.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.358 1.075 . . . . 0.0 110.673 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.67 -32.1 52.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.63 0.728 . . . . 0.0 111.524 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -61.02 -45.17 95.89 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.824 0.821 . . . . 0.0 111.29 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -73.81 -9.79 13.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.175 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.979 174.879 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . 76.61 145.44 0.09 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.159 0.981 . . . . 0.0 110.9 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -102.8 25.9 8.7 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.57 -27.22 1.07 Allowed Glycine 0 C--O 1.243 0.679 0 O-C-N 121.596 -0.69 . . . . 0.0 113.209 174.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -96.23 40.45 1.13 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.516 -0.99 . . . . 0.0 111.552 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -76.47 -58.85 3.04 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.89 0.852 . . . . 0.0 110.787 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -91.68 24.22 3.21 Favored 'General case' 0 C--O 1.244 0.804 0 O-C-N 121.678 -0.639 . . . . 0.0 112.65 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -90.71 -18.86 7.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 O-C-N 121.334 -0.854 . . . . 0.0 112.385 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -61.44 -161.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.469 0.652 . . . . 0.0 111.543 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.41 168.28 41.39 Favored Glycine 0 C--O 1.24 0.502 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -174.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -95.88 93.03 6.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.277 1.037 . . . . 0.0 112.043 -173.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -150.05 18.64 0.87 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.109 173.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -53.39 -58.13 8.19 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.802 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -156.78 -38.56 0.08 Allowed 'General case' 0 C--O 1.242 0.699 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -68.95 -29.88 68.2 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.455 0.645 . . . . 0.0 111.486 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -82.17 126.51 32.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.202 1.001 . . . . 0.0 111.256 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.22 -140.96 0.19 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -141.2 161.78 37.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.295 1.045 . . . . 0.0 111.53 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -83.19 -15.48 50.36 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.0 -26.09 63.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 175.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -55.91 -26.73 48.84 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -57.01 -38.72 61.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.696 1.236 . . . . 0.0 109.385 174.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 33' ' ' CGU . . . -113.22 84.51 2.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.835 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CGU . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -63.61 88.44 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.242 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -56.0 -20.14 15.39 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -52.51 -59.19 4.75 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.227 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -45.53 -25.99 0.52 Allowed 'General case' 0 C--O 1.241 0.608 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -79.07 -63.77 1.34 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.08 0.943 . . . . 0.0 112.021 -178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -86.61 -37.23 18.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.341 1.067 . . . . 0.0 110.363 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -81.57 4.76 20.23 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.72 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -89.83 -31.2 17.47 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.991 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -76.25 -32.23 58.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.146 0.974 . . . . 0.0 110.743 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -67.79 -35.49 78.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.302 1.049 . . . . 0.0 111.228 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -129.21 -138.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.85 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.117 0 CA-C-O 121.981 0.896 . . . . 0.0 111.048 174.626 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.92 0.867 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -116.99 38.1 3.62 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.82 0.819 . . . . 0.0 110.94 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 53.65 21.61 2.68 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.829 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.37 32.27 6.1 Favored Glycine 0 C--O 1.24 0.496 0 O-C-N 121.41 -0.806 . . . . 0.0 112.637 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 52.1 66.24 1.26 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 123.015 1.388 . . . . 0.0 110.608 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -87.81 30.61 0.82 Allowed 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.017 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -114.92 30.49 7.31 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.04 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -72.54 2.54 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.798 0 O-C-N 121.362 -0.836 . . . . 0.0 113.249 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . 76.94 99.23 0.07 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.217 1.008 . . . . 0.0 111.756 173.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.44 93.9 0.09 OUTLIER Glycine 0 C--O 1.237 0.297 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -84.4 -139.15 0.06 Allowed 'General case' 0 C--O 1.245 0.846 0 O-C-N 122.01 -0.7 . . . . 0.0 110.713 -173.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . 91.75 -23.22 0.08 Allowed 'General case' 0 C--O 1.25 1.128 0 C-N-CA 125.537 1.535 . . . . 0.0 110.324 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -99.69 129.14 45.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.855 169.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -143.3 63.74 1.36 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.141 0.972 . . . . 0.0 111.561 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -159.25 -41.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.683 0.754 . . . . 0.0 111.374 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -77.8 122.42 25.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.883 0.849 . . . . 0.0 111.087 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -131.56 -150.63 0.43 Allowed 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.478 -175.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -118.35 145.6 45.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.218 1.009 . . . . 0.0 111.492 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -51.58 -29.05 15.81 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.924 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.76 87.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 119.163 0.892 . . . . 0.0 108.988 172.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -43.51 -27.33 0.27 Allowed 'General case' 0 C--O 1.249 1.047 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 171.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -61.04 -45.55 98.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 122.179 0.99 . . . . 0.0 109.647 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -119.02 98.87 6.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.374 171.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -38.1 105.86 0.04 OUTLIER 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.994 0.902 . . . . 0.0 110.177 170.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -56.78 -36.54 69.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.812 -173.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -69.43 -49.43 55.18 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.915 0.864 . . . . 0.0 109.383 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -42.37 -29.54 0.27 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -89.72 -75.56 0.44 Allowed 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.651 -0.656 . . . . 0.0 111.759 -173.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -73.61 -41.95 62.14 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.037 0.922 . . . . 0.0 110.791 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -73.84 1.55 10.36 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -80.57 -30.99 36.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.078 0.942 . . . . 0.0 111.012 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -93.52 27.2 2.7 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.482 0.658 . . . . 0.0 112.262 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -139.06 27.78 2.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.124 1.44 . . . . 0.0 111.454 174.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -138.98 -145.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.868 0 O-C-N 120.806 -1.184 . . . . 0.0 108.881 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.164 0 CA-C-O 121.994 0.902 . . . . 0.0 110.977 -175.298 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.597 0.713 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 3' ' ' SER . . . 57.35 177.88 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.49 0.662 . . . . 0.0 110.525 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 2' ' ' ASN . . . -12.8 -75.61 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 125.758 1.623 . . . . 0.0 113.964 -175.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.2 79.66 0.09 OUTLIER Glycine 0 C--O 1.242 0.626 0 CA-C-O 121.737 0.632 . . . . 0.0 113.866 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -101.14 18.63 19.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.576 1.179 . . . . 0.0 112.262 172.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -59.18 105.28 0.32 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 123.651 1.691 . . . . 0.0 112.963 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.435 ' C ' ' H ' ' A' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.435 ' H ' ' C ' ' A' ' 7' ' ' CGU . . . 64.57 28.03 13.33 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 124.67 2.176 . . . . 0.0 107.165 -163.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -63.58 -98.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.111 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . 133.12 13.38 0.0 OUTLIER 'General case' 0 C--O 1.247 0.966 0 C-N-CA 127.825 2.45 . . . . 0.0 113.983 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.07 147.41 5.24 Favored Glycine 0 N--CA 1.464 0.543 0 C-N-CA 120.09 -1.052 . . . . 0.0 114.013 -173.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -128.34 109.42 11.43 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.704 -0.88 . . . . 0.0 110.038 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -131.95 -52.64 0.98 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.596 0.712 . . . . 0.0 112.177 -172.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -52.42 -56.68 13.41 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.495 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -171.67 28.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.589 0.709 . . . . 0.0 110.961 171.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -140.23 -59.99 0.53 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.085 0.945 . . . . 0.0 110.688 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -130.47 141.13 50.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.53 0.681 . . . . 0.0 110.807 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -125.54 -105.96 0.34 Allowed 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.953 -0.467 . . . . 0.0 110.757 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -175.7 168.28 3.12 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.245 -0.909 . . . . 0.0 111.065 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -86.04 -21.39 27.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.724 0.773 . . . . 0.0 111.253 174.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -23.61 61.54 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.971 0.891 . . . . 0.0 110.398 173.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -75.34 14.82 0.52 Allowed 'General case' 0 C--O 1.25 1.081 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -56.53 -43.25 77.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 122.399 1.095 . . . . 0.0 109.588 173.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -123.66 99.61 6.38 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.758 171.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -50.85 122.16 6.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.687 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -85.75 -26.92 25.57 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.566 0.698 . . . . 0.0 110.753 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . 168.98 -69.81 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.51 1.124 . . . . 0.0 109.616 -170.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -49.85 -43.57 49.08 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.999 -1.081 . . . . 0.0 110.137 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -67.82 -58.6 4.32 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.051 0.929 . . . . 0.0 112.329 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -87.92 -37.51 16.38 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.434 1.111 . . . . 0.0 110.989 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -71.19 -2.15 14.93 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -78.13 -26.5 47.93 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.216 -0.928 . . . . 0.0 111.749 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -88.92 -32.24 17.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.662 0.744 . . . . 0.0 112.063 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -80.13 -35.06 37.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.059 0.933 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -34.7 156.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 125.795 2.712 . . . . 0.0 115.006 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.098 0 CA-C-N 112.408 -2.178 . . . . 0.0 111.046 -175.215 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.588 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.822 . . . . 0.0 110.785 -174.837 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.666 0 CA-C-O 121.747 0.784 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -173.604 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.617 0 CA-C-O 121.313 0.578 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.76 -99.61 0.26 Allowed 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.299 0.571 . . . . 0.0 111.655 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -177.93 148.18 0.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.59 -0.694 . . . . 0.0 110.902 -173.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.739 0 CA-C-O 121.202 0.525 . . . . 0.0 110.755 174.694 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.592 0 CA-C-O 121.894 0.854 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 171.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.608 0 CA-C-O 121.518 0.675 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.875 0 O-C-N 121.63 -0.669 . . . . 0.0 112.54 173.021 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.581 0 CA-C-O 121.398 0.618 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-O 121.258 0.551 . . . . 0.0 112.005 -173.689 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.513 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 146.81 -46.29 0.01 OUTLIER 'General case' 0 C--O 1.261 1.666 0 C-N-CA 125.036 1.334 . . . . 0.0 111.519 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.864 0 O-C-N 119.751 -1.843 . . . . 0.0 111.362 171.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 0 CA-C-O 123.299 1.523 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -59.39 -19.33 46.17 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.175 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -57.79 -46.29 84.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.04 0.924 . . . . 0.0 110.836 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -68.5 -40.34 80.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.942 0.877 . . . . 0.0 110.99 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -59.81 -30.47 68.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.007 0.908 . . . . 0.0 111.408 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.78 0 CA-C-O 121.236 0.541 . . . . 0.0 109.89 177.454 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 121.615 0.721 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.828 0 C-N-CA 124.793 1.237 . . . . 0.0 110.976 -176.548 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.603 0 CA-C-O 121.228 0.537 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.899 0 O-C-N 121.823 -0.548 . . . . 0.0 112.323 -176.778 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.552 0 CA-C-O 121.8 0.809 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -145.63 14.78 1.4 Allowed 'General case' 0 C--O 1.244 0.812 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . 49.9 -165.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.266 1.031 . . . . 0.0 111.108 -174.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.782 0 O-C-N 121.777 -0.577 . . . . 0.0 111.582 179.65 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.223 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 171.449 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.586 0 CA-C-O 121.642 0.734 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.627 0.727 . . . . 0.0 110.185 171.392 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.749 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 -178.238 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.472 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -68.62 157.61 35.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 164.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 111.999 -168.006 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 122.807 1.289 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -64.44 -13.27 50.56 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.102 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -71.06 -37.42 72.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.946 0.879 . . . . 0.0 111.084 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -78.97 -33.45 45.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.824 . . . . 0.0 110.757 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -51.63 -31.8 26.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.191 0.996 . . . . 0.0 111.164 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 121.782 -0.574 . . . . 0.0 110.023 174.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.543 0 CA-C-O 122.246 1.022 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 121.793 0.806 . . . . 0.0 110.383 -174.697 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 122.417 1.103 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.814 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.434 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.63 0.728 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -110.55 -152.23 0.49 Allowed 'General case' 0 C--O 1.247 0.933 0 O-C-N 121.727 -0.608 . . . . 0.0 110.677 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -138.1 160.93 38.1 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.37 1.081 . . . . 0.0 111.96 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.729 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.492 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.816 0.817 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 172.54 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.86 0.838 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 121.65 0.738 . . . . 0.0 111.163 173.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.782 0.801 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.615 0 CA-C-O 121.726 0.774 . . . . 0.0 111.136 -174.282 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.274 0 CA-C-O 122.891 1.329 . . . . 0.0 108.854 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -43.39 -31.17 0.62 Allowed 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.641 167.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 121.24 -0.912 . . . . 0.0 111.044 -174.385 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.443 0 CA-C-O 122.48 1.133 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -67.37 -9.54 42.41 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -74.91 -27.4 60.21 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.957 0.884 . . . . 0.0 110.574 -174.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.05 -36.59 55.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.012 0.911 . . . . 0.0 110.917 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -63.5 -35.3 80.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.822 0.82 . . . . 0.0 111.066 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -175.303 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.779 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.873 0 C-N-CA 124.641 1.176 . . . . 0.0 111.106 172.434 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.258 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 121.583 0.706 . . . . 0.0 110.628 176.31 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.469 0 CA-C-O 122.254 1.026 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -137.81 -144.22 0.18 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.376 173.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -122.69 163.6 19.81 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.402 -0.811 . . . . 0.0 110.485 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 O-C-N 121.884 -0.51 . . . . 0.0 112.318 -174.532 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.611 0 CA-C-O 121.837 0.827 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.209 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 170.496 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.648 0 CA-C-O 121.418 0.627 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.83 0 O-C-N 121.858 -0.526 . . . . 0.0 111.985 173.853 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.683 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . . . . . . 0 C--O 1.25 1.11 0 C-N-CA 124.339 1.055 . . . . 0.0 112.578 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' THR . . . . . . . . 0 C--O 1.233 0.214 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 136.1 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 128.565 2.746 . . . . 0.0 109.03 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.731 0 CA-C-O 122.245 1.021 . . . . 0.0 110.87 172.145 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.526 0 CA-C-O 122.44 1.114 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -66.65 -14.9 63.04 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.371 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -77.41 -38.51 49.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.358 1.075 . . . . 0.0 110.673 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.67 -32.1 52.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.63 0.728 . . . . 0.0 111.524 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -61.02 -45.17 95.89 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.824 0.821 . . . . 0.0 111.29 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -178.448 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 122.277 1.037 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.779 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.109 173.395 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.699 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-O 121.455 0.645 . . . . 0.0 111.486 178.666 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.507 0 CA-C-O 122.202 1.001 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.22 -140.96 0.19 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -141.2 161.78 37.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.295 1.045 . . . . 0.0 111.53 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 176.455 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.621 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.339 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 172.428 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.406 0 CA-C-O 122.696 1.236 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.835 171.368 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.437 0 CA-C-O 121.636 0.732 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.754 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.807 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.589 0 CA-C-O 120.754 0.311 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -45.53 -25.99 0.52 Allowed 'General case' 0 C--O 1.241 0.608 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.825 0 CA-C-O 122.08 0.943 . . . . 0.0 112.021 -178.038 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 122.341 1.067 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -81.57 4.76 20.23 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.72 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -89.83 -31.2 17.47 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.991 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -76.25 -32.23 58.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.146 0.974 . . . . 0.0 110.743 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -67.79 -35.49 78.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.302 1.049 . . . . 0.0 111.228 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.85 -175.217 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.846 0 CA-C-O 120.35 0.119 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 C-N-CA 125.537 1.535 . . . . 0.0 110.324 -173.9 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.454 0 CA-C-O 122.141 0.972 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.646 0 CA-C-O 121.683 0.754 . . . . 0.0 111.374 173.14 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.883 0.849 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -131.56 -150.63 0.43 Allowed 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.478 -175.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -118.35 145.6 45.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.218 1.009 . . . . 0.0 111.492 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.704 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.924 174.589 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.608 0 CA-C-O 121.769 0.795 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 171.847 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.473 0 CA-C-O 122.179 0.99 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.374 171.481 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.398 0 CA-C-O 121.994 0.902 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.812 -173.703 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 121.915 0.864 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -42.37 -29.54 0.27 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.74 0 O-C-N 121.651 -0.656 . . . . 0.0 111.759 -173.654 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.037 0.922 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -73.84 1.55 10.36 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -80.57 -30.99 36.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.078 0.942 . . . . 0.0 111.012 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -93.52 27.2 2.7 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.482 0.658 . . . . 0.0 112.262 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -139.06 27.78 2.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.124 1.44 . . . . 0.0 111.454 174.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 O-C-N 120.806 -1.184 . . . . 0.0 108.881 174.496 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 121.674 0.75 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.802 0 CA-C-O 121.596 0.712 . . . . 0.0 112.177 -172.607 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.618 0 CA-C-O 121.589 0.709 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 CA-C-O 122.085 0.945 . . . . 0.0 110.688 -176.362 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.609 0 CA-C-O 121.53 0.681 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -125.54 -105.96 0.34 Allowed 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.953 -0.467 . . . . 0.0 110.757 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -175.7 168.28 3.12 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.245 -0.909 . . . . 0.0 111.065 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.621 0 CA-C-O 121.724 0.773 . . . . 0.0 111.253 174.425 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 121.971 0.891 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.387 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 122.399 1.095 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.758 171.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.621 0 CA-C-O 121.259 0.552 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.635 0 CA-C-O 121.566 0.698 . . . . 0.0 110.753 176.769 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.346 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -49.85 -43.57 49.08 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.999 -1.081 . . . . 0.0 110.137 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.746 0 CA-C-O 122.051 0.929 . . . . 0.0 112.329 -174.311 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 122.434 1.111 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -71.19 -2.15 14.93 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -78.13 -26.5 47.93 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.216 -0.928 . . . . 0.0 111.749 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -88.92 -32.24 17.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.662 0.744 . . . . 0.0 112.063 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -80.13 -35.06 37.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.059 0.933 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.904 0 CA-C-O 125.795 2.712 . . . . 0.0 115.006 178.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.96 0.886 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -66.79 -34.52 78.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.008 0.909 . . . . 0.0 110.603 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -133.5 -79.69 0.47 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.945 0.878 . . . . 0.0 110.846 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.85 21.19 3.46 Favored Glycine 0 C--O 1.241 0.573 0 O-C-N 121.894 -0.504 . . . . 0.0 113.339 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 43.99 56.1 4.92 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.704 -0.88 . . . . 0.0 112.347 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -46.2 -61.57 1.71 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.994 0.902 . . . . 0.0 109.852 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -171.33 23.7 0.01 OUTLIER 'General case' 0 C--O 1.245 0.827 0 CA-C-O 121.537 0.684 . . . . 0.0 111.399 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -125.04 -153.61 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.81 0 O-C-N 121.086 -1.009 . . . . 0.0 110.018 -172.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . 177.84 132.71 0.07 Allowed 'General case' 0 C--O 1.245 0.856 0 O-C-N 121.261 -0.9 . . . . 0.0 110.573 -174.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.68 55.02 0.06 OUTLIER Glycine 0 C--O 1.239 0.444 0 CA-C-O 122.056 0.809 . . . . 0.0 112.551 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -134.87 -178.12 4.94 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 174.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -137.63 -54.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.822 . . . . 0.0 110.785 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -54.87 -59.96 4.02 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-O 121.611 0.719 . . . . 0.0 112.359 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -170.52 -42.86 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 121.381 -0.824 . . . . 0.0 112.039 171.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -81.6 -157.19 0.17 Allowed 'General case' 0 C--O 1.252 1.23 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -173.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . 176.22 139.05 0.06 Allowed 'General case' 0 C--N 1.318 -0.792 0 O-C-N 120.817 -1.177 . . . . 0.0 111.414 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.76 -99.61 0.26 Allowed 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.299 0.571 . . . . 0.0 111.655 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -177.93 148.18 0.51 Allowed 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.59 -0.694 . . . . 0.0 110.902 -173.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -61.6 -34.23 75.27 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.202 0.525 . . . . 0.0 110.755 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.54 86.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.894 0.854 . . . . 0.0 109.034 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -48.58 -28.78 3.66 Favored 'General case' 0 C--O 1.251 1.169 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 171.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -81.33 -43.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.518 0.675 . . . . 0.0 110.537 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -69.25 -14.58 63.03 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 121.63 -0.669 . . . . 0.0 112.54 173.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -171.45 127.77 0.66 Allowed 'General case' 0 C--N 1.319 -0.733 0 O-C-N 120.608 -1.308 . . . . 0.0 110.837 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -52.93 -46.49 68.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.258 0.551 . . . . 0.0 112.005 -173.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -85.02 101.81 12.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 173.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 146.81 -46.29 0.01 OUTLIER 'General case' 0 C--O 1.261 1.666 0 C-N-CA 125.036 1.334 . . . . 0.0 111.519 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -83.75 -29.88 27.1 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 119.751 -1.843 . . . . 0.0 111.362 171.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -151.21 -44.79 0.12 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 123.299 1.523 . . . . 0.0 109.04 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -59.39 -19.33 46.17 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.175 172.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -57.79 -46.29 84.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.04 0.924 . . . . 0.0 110.836 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -68.5 -40.34 80.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.942 0.877 . . . . 0.0 110.99 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -59.81 -30.47 68.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.007 0.908 . . . . 0.0 111.408 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -103.58 -146.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.236 0.541 . . . . 0.0 109.89 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.187 0 CA-C-O 122.012 0.91 . . . . 0.0 110.961 -175.534 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.919 0.866 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -50.72 171.85 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.171 0.986 . . . . 0.0 110.859 173.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 76.17 27.08 0.91 Allowed 'General case' 0 C--O 1.246 0.903 0 O-C-N 121.63 -0.669 . . . . 0.0 112.556 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.4 78.09 0.05 OUTLIER Glycine 0 C--N 1.318 -0.417 0 O-C-N 121.498 -0.751 . . . . 0.0 111.621 174.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 51.78 62.24 2.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.597 1.189 . . . . 0.0 110.705 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -93.79 43.3 1.11 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.658 0.742 . . . . 0.0 111.887 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -81.43 0.43 37.62 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.655 172.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -124.53 25.71 3.22 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 O-C-N 121.432 -0.793 . . . . 0.0 112.754 -173.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -70.98 -164.76 0.1 Allowed 'General case' 0 C--O 1.244 0.782 0 O-C-N 121.459 -0.776 . . . . 0.0 110.363 173.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.56 138.27 3.97 Favored Glycine 0 CA--C 1.508 -0.385 0 CA-C-O 122.342 0.968 . . . . 0.0 112.449 -176.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -72.97 -54.57 8.28 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.718 -0.872 . . . . 0.0 111.011 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . 89.28 -51.49 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 124.793 1.237 . . . . 0.0 110.976 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -60.35 -68.57 0.28 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.572 0.701 . . . . 0.0 112.068 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -154.94 -42.6 0.09 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 121.803 -0.561 . . . . 0.0 112.344 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -68.99 -19.79 64.15 Favored 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.823 -0.548 . . . . 0.0 112.323 -176.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -64.78 130.91 45.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.8 0.809 . . . . 0.0 111.014 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -145.63 14.78 1.4 Allowed 'General case' 0 C--O 1.244 0.812 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . 49.9 -165.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.266 1.031 . . . . 0.0 111.108 -174.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -81.73 -24.76 35.92 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 121.777 -0.577 . . . . 0.0 111.582 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.42 82.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.172 0.896 . . . . 0.0 109.145 172.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -48.29 -28.53 3.16 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -79.53 -48.59 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.642 0.734 . . . . 0.0 109.731 173.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -116.51 97.64 6.12 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.627 0.727 . . . . 0.0 110.185 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -31.74 95.88 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 124.315 1.046 . . . . 0.0 112.963 172.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -49.51 -46.23 48.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . 86.7 -43.46 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 125.131 1.372 . . . . 0.0 107.632 -167.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -68.62 157.61 35.76 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 164.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . 74.1 -60.99 0.51 Allowed 'General case' 0 C--O 1.258 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 111.999 -168.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -84.96 -34.14 22.49 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 120.376 -1.453 . . . . 0.0 110.201 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -64.44 -13.27 50.56 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.102 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -71.06 -37.42 72.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.946 0.879 . . . . 0.0 111.084 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -78.97 -33.45 45.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.824 . . . . 0.0 110.757 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -51.63 -31.8 26.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.191 0.996 . . . . 0.0 111.164 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -96.51 -145.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 121.782 -0.574 . . . . 0.0 110.023 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.109 0 CA-C-O 122.064 0.935 . . . . 0.0 110.923 -174.844 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.731 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . 69.4 122.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.534 0.683 . . . . 0.0 111.424 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 42.04 -90.99 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 124.975 1.31 . . . . 0.0 112.983 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.3 78.45 0.03 OUTLIER Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -142.36 43.7 1.64 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.944 0.878 . . . . 0.0 110.892 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -88.97 -78.82 0.33 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.54 0.686 . . . . 0.0 111.103 -174.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -167.32 23.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.308 -0.87 . . . . 0.0 111.75 -174.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -96.81 -142.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.246 0.898 0 O-C-N 121.598 -0.689 . . . . 0.0 109.371 -174.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -117.64 112.49 20.58 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.275 -0.891 . . . . 0.0 111.343 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.63 50.17 0.07 OUTLIER Glycine 0 N--CA 1.46 0.286 0 CA-C-O 122.431 1.017 . . . . 0.0 110.83 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -118.31 111.0 18.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.246 1.022 . . . . 0.0 110.666 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -120.95 -56.7 1.92 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.793 0.806 . . . . 0.0 110.383 -174.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -112.2 86.93 2.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.053 174.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -111.39 43.32 1.52 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 122.417 1.103 . . . . 0.0 110.313 -173.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -143.43 -154.9 0.55 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 172.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -97.14 103.09 14.99 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.378 -0.826 . . . . 0.0 111.283 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -110.55 -152.23 0.49 Allowed 'General case' 0 C--O 1.247 0.933 0 O-C-N 121.727 -0.608 . . . . 0.0 110.677 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -138.1 160.93 38.1 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.37 1.081 . . . . 0.0 111.96 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -67.68 -19.5 65.19 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.94 -26.83 62.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.816 0.817 . . . . 0.0 110.683 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -46.69 -32.68 3.72 Favored 'General case' 0 C--O 1.25 1.115 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 172.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -77.79 -50.37 20.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.86 0.838 . . . . 0.0 110.195 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -113.96 93.2 4.26 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.65 0.738 . . . . 0.0 111.163 173.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -45.3 105.71 0.06 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.782 0.801 . . . . 0.0 110.935 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -70.44 -35.12 73.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.726 0.774 . . . . 0.0 111.136 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . 157.17 -64.36 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.322 1.449 . . . . 0.0 108.854 -169.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -43.39 -31.17 0.62 Allowed 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.641 167.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -85.56 -73.86 0.43 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.24 -0.912 . . . . 0.0 111.044 -174.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -84.38 -46.27 11.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.48 1.133 . . . . 0.0 110.671 174.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -67.37 -9.54 42.41 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -74.91 -27.4 60.21 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.957 0.884 . . . . 0.0 110.574 -174.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.05 -36.59 55.88 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.012 0.911 . . . . 0.0 110.917 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -63.5 -35.3 80.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.822 0.82 . . . . 0.0 111.066 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -68.2 -9.65 11.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.198 0 CA-C-N 114.526 -1.216 . . . . 0.0 111.08 174.785 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 121.833 0.825 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -135.58 11.04 3.45 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 176.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 51.03 19.48 0.68 Allowed 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.54 -0.725 . . . . 0.0 112.049 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.65 53.09 0.77 Allowed Glycine 0 N--CA 1.464 0.506 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -174.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 71.64 78.55 0.16 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.471 1.129 . . . . 0.0 110.698 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -94.41 45.77 1.14 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.95 0.881 . . . . 0.0 111.152 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -156.48 21.44 0.35 Allowed 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.288 -0.883 . . . . 0.0 110.769 174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -116.65 -143.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.867 0 O-C-N 121.563 -0.711 . . . . 0.0 109.729 -172.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -88.23 -138.42 0.11 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 121.088 -1.008 . . . . 0.0 110.169 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.53 -144.99 4.29 Favored Glycine 0 N--CA 1.466 0.653 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.758 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -74.22 -137.1 0.01 OUTLIER 'General case' 0 C--O 1.244 0.779 0 O-C-N 121.711 -0.876 . . . . 0.0 109.972 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . 96.84 -63.18 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 124.641 1.176 . . . . 0.0 111.106 172.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -69.86 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.496 0.665 . . . . 0.0 111.139 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -134.73 -29.93 1.13 Allowed 'General case' 0 C--O 1.253 1.258 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -171.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -69.25 -25.57 64.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.583 0.706 . . . . 0.0 110.628 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -116.76 137.12 52.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.254 1.026 . . . . 0.0 111.97 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -137.81 -144.22 0.18 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.376 173.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -122.69 163.6 19.81 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.402 -0.811 . . . . 0.0 110.485 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -73.86 -20.13 60.52 Favored 'General case' 0 C--O 1.246 0.904 0 O-C-N 121.884 -0.51 . . . . 0.0 112.318 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.36 72.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.837 0.827 . . . . 0.0 109.655 172.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -61.22 -13.6 19.6 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -89.91 -34.32 6.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 O-C-N 121.53 -0.731 . . . . 0.0 110.941 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -87.07 -20.87 26.52 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.858 -0.526 . . . . 0.0 111.985 173.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -142.14 0.86 1.39 Allowed 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.316 -0.865 . . . . 0.0 113.33 173.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . 51.9 -81.94 0.01 OUTLIER 'General case' 0 C--O 1.25 1.11 0 C-N-CA 124.339 1.055 . . . . 0.0 112.578 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' THR . . . 127.49 85.86 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 128.778 2.831 . . . . 0.0 107.636 -163.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . 136.1 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 128.565 2.746 . . . . 0.0 109.03 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -70.17 -57.09 5.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.245 1.021 . . . . 0.0 110.87 172.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -80.69 -33.69 35.25 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.44 1.114 . . . . 0.0 110.582 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -66.65 -14.9 63.04 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.371 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -77.41 -38.51 49.63 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.358 1.075 . . . . 0.0 110.673 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -77.67 -32.1 52.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.63 0.728 . . . . 0.0 111.524 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -61.02 -45.17 95.89 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.824 0.821 . . . . 0.0 111.29 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -73.81 -9.79 13.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.175 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.979 174.879 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . 76.61 145.44 0.09 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.159 0.981 . . . . 0.0 110.9 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . -102.8 25.9 8.7 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.57 -27.22 1.07 Allowed Glycine 0 C--O 1.243 0.679 0 O-C-N 121.596 -0.69 . . . . 0.0 113.209 174.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -96.23 40.45 1.13 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.516 -0.99 . . . . 0.0 111.552 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -76.47 -58.85 3.04 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.89 0.852 . . . . 0.0 110.787 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -91.68 24.22 3.21 Favored 'General case' 0 C--O 1.244 0.804 0 O-C-N 121.678 -0.639 . . . . 0.0 112.65 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -90.71 -18.86 7.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 O-C-N 121.334 -0.854 . . . . 0.0 112.385 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . -61.44 -161.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.469 0.652 . . . . 0.0 111.543 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.41 168.28 41.39 Favored Glycine 0 C--O 1.24 0.502 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -174.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -95.88 93.03 6.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.277 1.037 . . . . 0.0 112.043 -173.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -150.05 18.64 0.87 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.109 173.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -53.39 -58.13 8.19 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.802 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -156.78 -38.56 0.08 Allowed 'General case' 0 C--O 1.242 0.699 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -68.95 -29.88 68.2 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.455 0.645 . . . . 0.0 111.486 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -82.17 126.51 32.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.202 1.001 . . . . 0.0 111.256 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -133.22 -140.96 0.19 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -141.2 161.78 37.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.295 1.045 . . . . 0.0 111.53 -174.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -83.19 -15.48 50.36 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.0 -26.09 63.91 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 175.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -55.91 -26.73 48.84 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -57.01 -38.72 61.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.696 1.236 . . . . 0.0 109.385 174.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 33' ' ' CGU . . . -113.22 84.51 2.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.835 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -63.61 88.44 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.242 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -56.0 -20.14 15.39 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -52.51 -59.19 4.75 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.227 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -45.53 -25.99 0.52 Allowed 'General case' 0 C--O 1.241 0.608 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -79.07 -63.77 1.34 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.08 0.943 . . . . 0.0 112.021 -178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -86.61 -37.23 18.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.341 1.067 . . . . 0.0 110.363 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -81.57 4.76 20.23 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.72 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -89.83 -31.2 17.47 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.991 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -76.25 -32.23 58.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.146 0.974 . . . . 0.0 110.743 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -67.79 -35.49 78.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.302 1.049 . . . . 0.0 111.228 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -129.21 -138.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.85 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.117 0 CA-C-O 121.981 0.896 . . . . 0.0 111.048 174.626 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.92 0.867 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . -116.99 38.1 3.62 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.82 0.819 . . . . 0.0 110.94 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . . . 53.65 21.61 2.68 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.829 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.37 32.27 6.1 Favored Glycine 0 C--O 1.24 0.496 0 O-C-N 121.41 -0.806 . . . . 0.0 112.637 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . 52.1 66.24 1.26 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 123.015 1.388 . . . . 0.0 110.608 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -87.81 30.61 0.82 Allowed 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.017 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . . . -114.92 30.49 7.31 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.04 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -72.54 2.54 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.798 0 O-C-N 121.362 -0.836 . . . . 0.0 113.249 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . 76.94 99.23 0.07 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.217 1.008 . . . . 0.0 111.756 173.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.44 93.9 0.09 OUTLIER Glycine 0 C--O 1.237 0.297 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -84.4 -139.15 0.06 Allowed 'General case' 0 C--O 1.245 0.846 0 O-C-N 122.01 -0.7 . . . . 0.0 110.713 -173.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . 91.75 -23.22 0.08 Allowed 'General case' 0 C--O 1.25 1.128 0 C-N-CA 125.537 1.535 . . . . 0.0 110.324 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -99.69 129.14 45.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.855 169.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -143.3 63.74 1.36 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.141 0.972 . . . . 0.0 111.561 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -159.25 -41.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.683 0.754 . . . . 0.0 111.374 173.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -77.8 122.42 25.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.883 0.849 . . . . 0.0 111.087 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -131.56 -150.63 0.43 Allowed 'General case' 0 C--O 1.246 0.874 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.478 -175.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -118.35 145.6 45.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.218 1.009 . . . . 0.0 111.492 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -51.58 -29.05 15.81 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.924 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.76 87.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 119.163 0.892 . . . . 0.0 108.988 172.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -43.51 -27.33 0.27 Allowed 'General case' 0 C--O 1.249 1.047 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 171.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -61.04 -45.55 98.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 122.179 0.99 . . . . 0.0 109.647 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -119.02 98.87 6.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.374 171.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -38.1 105.86 0.04 OUTLIER 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.994 0.902 . . . . 0.0 110.177 170.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -56.78 -36.54 69.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.812 -173.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -69.43 -49.43 55.18 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.915 0.864 . . . . 0.0 109.383 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -42.37 -29.54 0.27 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -89.72 -75.56 0.44 Allowed 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.651 -0.656 . . . . 0.0 111.759 -173.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -73.61 -41.95 62.14 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.037 0.922 . . . . 0.0 110.791 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -73.84 1.55 10.36 Favored 'General case' 0 C--O 1.244 0.811 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -80.57 -30.99 36.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.078 0.942 . . . . 0.0 111.012 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -93.52 27.2 2.7 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.482 0.658 . . . . 0.0 112.262 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -139.06 27.78 2.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.124 1.44 . . . . 0.0 111.454 174.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -138.98 -145.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.868 0 O-C-N 120.806 -1.184 . . . . 0.0 108.881 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.164 0 CA-C-O 121.994 0.902 . . . . 0.0 110.977 -175.298 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.597 0.713 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 3' ' ' SER . . . 57.35 177.88 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.49 0.662 . . . . 0.0 110.525 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 2' ' ' ASN . . . -12.8 -75.61 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 125.758 1.623 . . . . 0.0 113.964 -175.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.2 79.66 0.09 OUTLIER Glycine 0 C--O 1.242 0.626 0 CA-C-O 121.737 0.632 . . . . 0.0 113.866 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -101.14 18.63 19.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.576 1.179 . . . . 0.0 112.262 172.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -59.18 105.28 0.32 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 123.651 1.691 . . . . 0.0 112.963 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.435 ' C ' ' H ' ' A' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.435 ' H ' ' C ' ' A' ' 7' ' ' CGU . . . 64.57 28.03 13.33 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 124.67 2.176 . . . . 0.0 107.165 -163.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . . . -63.58 -98.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.111 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . . . 133.12 13.38 0.0 OUTLIER 'General case' 0 C--O 1.247 0.966 0 C-N-CA 127.825 2.45 . . . . 0.0 113.983 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.07 147.41 5.24 Favored Glycine 0 N--CA 1.464 0.543 0 C-N-CA 120.09 -1.052 . . . . 0.0 114.013 -173.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -128.34 109.42 11.43 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.704 -0.88 . . . . 0.0 110.038 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -131.95 -52.64 0.98 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.596 0.712 . . . . 0.0 112.177 -172.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . . . -52.42 -56.68 13.41 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.495 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . . . -171.67 28.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.589 0.709 . . . . 0.0 110.961 171.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -140.23 -59.99 0.53 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.085 0.945 . . . . 0.0 110.688 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . . . -130.47 141.13 50.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.53 0.681 . . . . 0.0 110.807 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . . . -125.54 -105.96 0.34 Allowed 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.953 -0.467 . . . . 0.0 110.757 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -175.7 168.28 3.12 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.245 -0.909 . . . . 0.0 111.065 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . . . -86.04 -21.39 27.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.724 0.773 . . . . 0.0 111.253 174.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -23.61 61.54 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.971 0.891 . . . . 0.0 110.398 173.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -75.34 14.82 0.52 Allowed 'General case' 0 C--O 1.25 1.081 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -56.53 -43.25 77.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 122.399 1.095 . . . . 0.0 109.588 173.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . . . -123.66 99.61 6.38 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.758 171.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . . . -50.85 122.16 6.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.687 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . . . -85.75 -26.92 25.57 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-O 121.566 0.698 . . . . 0.0 110.753 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . 168.98 -69.81 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.51 1.124 . . . . 0.0 109.616 -170.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . . . -49.85 -43.57 49.08 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.999 -1.081 . . . . 0.0 110.137 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . . . -67.82 -58.6 4.32 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.051 0.929 . . . . 0.0 112.329 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . . . -87.92 -37.51 16.38 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.434 1.111 . . . . 0.0 110.989 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . . . -71.19 -2.15 14.93 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -78.13 -26.5 47.93 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.216 -0.928 . . . . 0.0 111.749 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . . . -88.92 -32.24 17.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.662 0.744 . . . . 0.0 112.063 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . . . -80.13 -35.06 37.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.059 0.933 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . . . -34.7 156.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 125.795 2.712 . . . . 0.0 115.006 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.098 0 CA-C-N 112.408 -2.178 . . . . 0.0 111.046 -175.215 . . . . . . . . 0 0 . 1 stop_ save_