data_2mss_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 2mss _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.946 ' CB ' ' OG1' ' A' ' 156' ' ' THR . 3.8 pttt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.056 0.455 . . . . 2.1000000000000001 110.217 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 1.379 HG22 ' CZ ' ' A' ' 157' ' ' PHE . 6.6 pt -104.9 172.61 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.125 -0.984 . . . . 2.1099999999999999 110.397 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.858 ' CB ' ' HB1' ' A' ' 184' ' ' ALA . 4.2 t80 -127.71 156.83 41.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.314 -0.866 . . . . 2.3700000000000001 110.219 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.619 ' CG1' ' SG ' ' A' ' 181' ' ' CYS . 0.7 OUTLIER -149.96 152.88 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 1.1200000000000001 110.484 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -145.31 161.01 28.16 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.498 -1.441 . . . . 0.60999999999999999 109.498 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 117' ' ' SER . . . 95.45 -5.36 67.47 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.512 -1.435 . . . . 0.79000000000000004 109.512 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.891 ' HG ' ' O ' ' A' ' 151' ' ' GLY . 0.1 OUTLIER -45.7 91.74 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.267 -1.137 . . . . 2.3100000000000001 110.351 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 1.081 ' HB2' ' HE3' ' A' ' 177' ' ' LYS . 2.1 t -45.47 -168.0 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 2.2200000000000002 110.175 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 1.278 ' O ' ' N ' ' A' ' 120' ' ' THR . 30.8 t -82.75 -152.59 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.364 -0.835 . . . . 2.8399999999999999 110.291 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 1.043 ' H ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER 32.93 -14.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.243 -0.911 . . . . 1.8500000000000001 110.031 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 1.278 ' N ' ' O ' ' A' ' 118' ' ' VAL . 59.1 m -72.42 142.77 48.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 1.25 110.111 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.781 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 6.2 t -139.84 150.09 44.25 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 1.5600000000000001 110.235 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.852 ' HA ' ' CD1' ' A' ' 140' ' ' LEU . 2.1 t -36.82 -51.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.147 -0.97 . . . . 1.3200000000000001 110.145 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.545 ' O ' ' HD2' ' A' ' 127' ' ' HIS . 2.1 tt0 -41.5 -23.57 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.546 -0.909 . . . . 2.2200000000000002 108.546 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 1.08 ' CG ' ' ND2' ' A' ' 175' ' ' ASN . 60.3 m-20 -75.78 -57.69 3.73 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.234 0.54 . . . . 2.1800000000000002 110.078 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.721 ' HB ' HD13 ' A' ' 140' ' ' LEU . 0.9 OUTLIER -67.39 -47.9 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.278 -0.889 . . . . 1.53 109.839 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.911 ' O ' ' HB2' ' A' ' 130' ' ' GLU . 57.4 tttt -50.01 -54.83 17.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.456 -0.778 . . . . 2.4900000000000002 109.701 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.796 ' HD2' ' HA ' ' A' ' 124' ' ' ASP . 0.7 OUTLIER -65.55 -27.4 68.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -0.843 . . . . 2.1400000000000001 109.635 179.442 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 1.073 ' O ' ' HG2' ' A' ' 131' ' ' GLN . 13.5 t80 -70.09 -70.16 0.31 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.445 -0.785 . . . . 2.6499999999999999 110.392 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.849 ' CZ ' ' SG ' ' A' ' 181' ' ' CYS . 30.0 m-85 -67.15 -16.53 64.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.104 -0.997 . . . . 2.21 110.588 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.911 ' HB2' ' O ' ' A' ' 126' ' ' LYS . 72.3 tt0 -55.76 -38.95 70.54 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.749 -1.204 . . . . 2.2400000000000002 107.749 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 1.073 ' HG2' ' O ' ' A' ' 128' ' ' TYR . 18.4 pt20 -76.77 -13.76 59.99 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.528 -1.286 . . . . 1.6000000000000001 107.528 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.957 ' HB3' HG12 ' A' ' 162' ' ' ILE . 34.3 m-85 -93.95 -32.69 13.76 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 115.657 -0.701 . . . . 2.29 109.838 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 1.099 ' O ' ' N ' ' A' ' 135' ' ' VAL . . . -163.86 132.32 2.69 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.552 -1.419 . . . . 1.23 109.552 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.722 ' HZ3' ' HB2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -15.29 -31.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.353 -1.086 . . . . 3.4399999999999999 110.612 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 1.099 ' N ' ' O ' ' A' ' 133' ' ' GLY . 1.4 t 34.96 66.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.252 -0.905 . . . . 1.0700000000000001 111.002 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.542 ' C ' ' OD1' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -61.65 -27.07 68.41 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.14 -0.975 . . . . 1.48 108.573 178.691 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.542 ' OD1' ' C ' ' A' ' 136' ' ' ASP . 2.2 m-20 -135.42 136.35 41.31 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 121.379 0.609 . . . . 1.3400000000000001 109.721 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.857 ' HA ' HG11 ' A' ' 155' ' ' VAL . . . -143.5 86.78 1.9 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.403 -0.811 . . . . 1.0800000000000001 109.091 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.947 ' HG3' ' N ' ' A' ' 140' ' ' LEU . 0.0 OUTLIER -89.34 169.05 11.75 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.611 0.72 . . . . 2.6600000000000001 111.344 -178.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.947 ' N ' ' HG3' ' A' ' 139' ' ' MET . 0.4 OUTLIER -149.4 139.91 22.47 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.646 -0.659 . . . . 2.0899999999999999 109.65 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' MET . . . . . 1.101 ' HB2' ' O ' ' A' ' 152' ' ' PHE . 18.7 mmt -117.85 106.66 13.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.16 -0.962 . . . . 2.1400000000000001 110.816 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.986 ' CE2' ' O ' ' A' ' 120' ' ' THR . 10.8 m-85 -89.58 154.51 19.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 2.6099999999999999 109.066 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 1.545 ' CG ' ' HB3' ' A' ' 147' ' ' ASN . 2.0 t0 -56.93 160.21 3.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.965 -1.085 . . . . 3.7400000000000002 110.246 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 1.006 ' HB3' ' ND2' ' A' ' 147' ' ' ASN . 1.2 tptt -45.48 -136.38 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.336 -0.852 . . . . 6.25 111.586 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.524 ' HB ' ' H ' ' A' ' 146' ' ' THR . 0.2 OUTLIER -44.84 -91.98 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.437 -0.789 . . . . 6.3600000000000003 110.58 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 1.211 ' O ' ' NH2' ' A' ' 148' ' ' ARG . 22.2 p -89.27 12.27 16.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.466 -0.771 . . . . 6.6699999999999999 109.421 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 1.545 ' HB3' ' CG ' ' A' ' 143' ' ' ASP . 35.1 m-80 -63.28 53.6 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.774 0.797 . . . . 5.0700000000000003 109.663 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . 1.211 ' NH2' ' O ' ' A' ' 146' ' ' THR . 0.0 OUTLIER -89.82 -12.01 40.41 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.144 -0.972 . . . . 6.5999999999999996 109.736 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -31.75 37.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.526 -0.734 . . . . 6.2599999999999998 110.922 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.445 ' HB3' ' H ' ' A' ' 151' ' ' GLY . 3.2 mtt-85 -138.32 -148.07 0.25 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.995 . . . . 5.6200000000000001 110.388 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.891 ' O ' ' HG ' ' A' ' 116' ' ' LEU . . . 138.61 128.48 2.59 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.591 -1.404 . . . . 1.6399999999999999 109.591 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 1.101 ' O ' ' HB2' ' A' ' 141' ' ' MET . 13.8 p90 -118.82 134.61 55.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.316 -1.108 . . . . 2.3199999999999998 109.355 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.522 ' CA ' ' HA ' ' A' ' 140' ' ' LEU . . . -110.39 169.83 13.72 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.658 -1.258 . . . . 0.37 110.526 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.626 ' HB2' ' HG2' ' A' ' 139' ' ' MET . 36.3 m-85 -132.52 101.98 5.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.482 -1.011 . . . . 2.46 109.824 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.857 HG11 ' HA ' ' A' ' 138' ' ' ALA . 1.8 t -103.22 -168.78 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 1.0900000000000001 109.639 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.946 ' OG1' ' CB ' ' A' ' 110' ' ' LYS . 55.4 m -176.1 114.94 0.12 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.866 -1.133 . . . . 1.0600000000000001 111.535 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . 1.379 ' CZ ' HG22 ' A' ' 111' ' ' ILE . 0.1 OUTLIER -133.35 110.54 10.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.644 -0.66 . . . . 2.1400000000000001 109.501 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 157' ' ' PHE . 0.6 OUTLIER -38.97 -18.14 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.119 -0.988 . . . . 2.5 110.127 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.944 ' O ' HG23 ' A' ' 162' ' ' ILE . 8.6 m -71.97 72.68 0.85 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 1.53 110.061 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.798 ' HA ' HG22 ' A' ' 163' ' ' VAL . 0.5 OUTLIER -54.85 -40.76 69.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.156 -0.965 . . . . 2.0299999999999998 109.34 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' A' ' 160' ' ' GLU . 0.3 OUTLIER -37.9 -53.43 1.33 Allowed 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.69 -0.804 . . . . 1.8700000000000001 108.997 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . 0.989 HG21 ' N ' ' A' ' 163' ' ' VAL . 1.2 tp -64.28 -45.43 96.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.574 -0.704 . . . . 1.77 109.243 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 1.212 ' CG1' HG23 ' A' ' 111' ' ' ILE . 1.2 t -61.13 -28.39 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -0.881 . . . . 1.22 108.93 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 160' ' ' GLU . 0.1 OUTLIER -60.12 -50.12 74.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.452 -0.78 . . . . 1.8 110.069 179.489 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 167' ' ' CYS . 9.5 tttt -88.7 -65.49 1.01 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.371 -0.831 . . . . 3.0499999999999998 109.744 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.844 HG11 ' O ' ' A' ' 162' ' ' ILE . 3.3 p -41.28 -23.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.421 -0.799 . . . . 1.73 109.746 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' CYS . . . . . 1.189 ' HB3' ' O ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER -80.37 -32.31 37.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 2.4300000000000002 110.235 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.947 ' O ' ' O ' ' A' ' 169' ' ' ILE . 3.0 tt0 -73.28 -114.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.185 -0.947 . . . . 2.3300000000000001 110.076 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 1.19 ' CG2' ' H ' ' A' ' 170' ' ' HIS . 1.1 mp 17.15 -151.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.216 -0.927 . . . . 5.4900000000000002 109.801 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 1.19 ' H ' ' CG2' ' A' ' 169' ' ' ILE . 0.0 OUTLIER -170.74 -39.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.096 -1.002 . . . . 5.5300000000000002 110.553 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 1.142 ' CZ ' ' HB3' ' A' ' 178' ' ' MET . 5.5 t80 -86.35 87.82 7.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.164 -0.96 . . . . 2.5499999999999998 110.309 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.905 ' O ' ' HA ' ' A' ' 178' ' ' MET . 0.1 OUTLIER -90.03 165.57 13.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.376 -0.828 . . . . 1.77 110.093 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.568 ' O ' ' CZ ' ' A' ' 128' ' ' TYR . 3.1 tt0 -113.79 97.05 6.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.898 . . . . 2.29 109.901 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . 0.981 HG21 ' O ' ' A' ' 174' ' ' ILE . 0.9 OUTLIER -104.14 105.95 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.337 -0.852 . . . . 2.02 109.744 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 1.08 ' ND2' ' CG ' ' A' ' 124' ' ' ASP . 4.3 m-80 57.19 -40.91 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 2.02 110.245 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.807 ' N ' ' O ' ' A' ' 174' ' ' ILE . 0.1 OUTLIER 174.36 35.34 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.344 -0.847 . . . . 1.3799999999999999 109.93 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . 1.081 ' HE3' ' HB2' ' A' ' 117' ' ' SER . 1.9 tptt -138.82 142.98 38.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.36 -0.838 . . . . 2.8399999999999999 110.474 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' MET . . . . . 1.142 ' HB3' ' CZ ' ' A' ' 171' ' ' PHE . 0.0 OUTLIER -79.12 9.67 4.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.259 -0.901 . . . . 3.25 109.755 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . 1.068 ' O ' ' O ' ' A' ' 178' ' ' MET . 27.5 m -17.72 164.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.433 -0.792 . . . . 1.49 110.612 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.922 ' OE2' ' HE2' ' A' ' 182' ' ' LYS . 29.5 tt0 -111.63 149.7 31.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.359 -0.838 . . . . 1.6799999999999999 110.113 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' CYS . . . . . 0.849 ' SG ' ' CZ ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -124.08 145.36 49.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.189 -0.944 . . . . 2.2200000000000002 110.605 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . 0.922 ' HE2' ' OE2' ' A' ' 180' ' ' GLU . 14.7 mttt -148.58 136.76 21.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.402 -0.811 . . . . 2.7999999999999998 109.591 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . 1.107 ' O ' ' CD ' ' A' ' 183' ' ' LYS . 0.0 OUTLIER -65.26 82.56 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.135 -0.978 . . . . 4.1200000000000001 110.13 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.932 ' O ' ' O ' ' A' ' 110' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 1.3799999999999999 110.325 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.946 ' CB ' ' OG1' ' A' ' 156' ' ' THR . 3.8 pttt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.056 0.455 . . . . 1.6100000000000001 110.217 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 1.347 HG21 ' CZ ' ' A' ' 157' ' ' PHE . 6.6 pt -104.9 172.61 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.125 -0.984 . . . . 1.4199999999999999 110.397 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.975 ' CB ' ' HB2' ' A' ' 184' ' ' ALA . 4.2 t80 -127.71 156.83 41.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.314 -0.866 . . . . 1.46 110.219 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.715 HG12 ' SG ' ' A' ' 181' ' ' CYS . 0.7 OUTLIER -149.96 152.88 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 0.45000000000000001 110.484 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -145.31 161.01 28.16 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.498 -1.441 . . . . 0.60999999999999999 109.498 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.696 ' C ' HG12 ' A' ' 179' ' ' VAL . . . 95.45 -5.36 67.47 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.512 -1.435 . . . . 0.79000000000000004 109.512 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.08 HD13 HD23 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -45.7 91.74 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.267 -1.137 . . . . 1.72 110.351 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . 1.089 ' HB2' ' HE3' ' A' ' 177' ' ' LYS . 2.1 t -45.47 -168.0 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 1.9399999999999999 110.175 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.278 ' O ' ' N ' ' A' ' 120' ' ' THR . 30.8 t -82.75 -152.59 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.364 -0.835 . . . . 2.3100000000000001 110.291 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 1.0 ' H ' HG12 ' A' ' 118' ' ' VAL . 0.7 OUTLIER 32.93 -14.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.243 -0.911 . . . . 1.8500000000000001 110.031 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . 1.278 ' N ' ' O ' ' A' ' 118' ' ' VAL . 59.1 m -72.42 142.77 48.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 0.80000000000000004 110.111 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.768 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 6.2 t -139.84 150.09 44.25 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.93999999999999995 110.235 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.969 ' HA ' HD12 ' A' ' 140' ' ' LEU . 2.1 t -36.82 -51.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.147 -0.97 . . . . 0.56999999999999995 110.145 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 122' ' ' VAL . 2.1 tt0 -41.5 -23.57 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.546 -0.909 . . . . 2.2200000000000002 108.546 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.932 ' CG ' ' OD1' ' A' ' 175' ' ' ASN . 60.3 m-20 -75.78 -57.69 3.73 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.234 0.54 . . . . 2.1800000000000002 110.078 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 1.035 HG23 HD11 ' A' ' 174' ' ' ILE . 0.9 OUTLIER -67.39 -47.9 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.278 -0.889 . . . . 0.94999999999999996 109.839 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 1.102 ' HB2' ' HB3' ' A' ' 138' ' ' ALA . 57.4 tttt -50.01 -54.83 17.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.456 -0.778 . . . . 1.96 109.701 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.743 ' CD2' ' C ' ' A' ' 127' ' ' HIS . 1.6 p-80 -65.55 -27.4 68.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -0.843 . . . . 1.27 109.635 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 1.08 ' O ' ' HG2' ' A' ' 131' ' ' GLN . 13.5 t80 -70.09 -70.16 0.31 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.445 -0.785 . . . . 2.0600000000000001 110.392 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.849 ' CZ ' ' SG ' ' A' ' 181' ' ' CYS . 30.0 m-85 -67.15 -16.53 64.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.104 -0.997 . . . . 1.29 110.588 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.923 ' HB2' ' O ' ' A' ' 126' ' ' LYS . 72.3 tt0 -55.76 -38.95 70.54 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.749 -1.204 . . . . 2.2400000000000002 107.749 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 1.08 ' HG2' ' O ' ' A' ' 128' ' ' TYR . 16.9 pt20 -76.77 -13.76 59.99 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.528 -1.286 . . . . 1.4399999999999999 107.528 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.963 ' HB3' HG12 ' A' ' 162' ' ' ILE . 34.3 m-85 -93.95 -32.69 13.76 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 115.657 -0.701 . . . . 1.3899999999999999 109.838 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 1.099 ' O ' ' N ' ' A' ' 135' ' ' VAL . . . -163.86 132.32 2.69 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.552 -1.419 . . . . 1.23 109.552 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.704 ' NZ ' ' HB2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -15.29 -31.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.353 -1.086 . . . . 3.0699999999999998 110.612 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 1.153 ' O ' HG12 ' A' ' 135' ' ' VAL . 1.4 t 34.96 66.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.252 -0.905 . . . . 0.26000000000000001 111.002 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.542 ' C ' ' OD1' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -61.65 -27.07 68.41 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.14 -0.975 . . . . 1.48 108.573 178.691 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.542 ' OD1' ' C ' ' A' ' 136' ' ' ASP . 2.2 m-20 -135.42 136.35 41.31 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 121.379 0.609 . . . . 1.3400000000000001 109.721 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 1.102 ' HB3' ' HB2' ' A' ' 126' ' ' LYS . . . -143.5 86.78 1.9 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.403 -0.811 . . . . 0.23000000000000001 109.091 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.932 ' HG3' ' N ' ' A' ' 140' ' ' LEU . 0.0 OUTLIER -89.34 169.05 11.75 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.611 0.72 . . . . 2.0899999999999999 111.344 -178.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 1.08 HD23 HD13 ' A' ' 116' ' ' LEU . 0.4 OUTLIER -149.4 139.91 22.47 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.646 -0.659 . . . . 1.51 109.65 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' MET . . . . . 1.107 ' HB2' ' O ' ' A' ' 152' ' ' PHE . 18.7 mmt -117.85 106.66 13.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.16 -0.962 . . . . 1.52 110.816 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.986 ' CE2' ' O ' ' A' ' 120' ' ' THR . 10.8 m-85 -89.58 154.51 19.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 1.74 109.066 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 1.536 ' CG ' ' HB3' ' A' ' 147' ' ' ASN . 2.0 t0 -56.93 160.21 3.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.965 -1.085 . . . . 3.7400000000000002 110.246 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.97 ' N ' ' HB2' ' A' ' 147' ' ' ASN . 1.2 tptt -45.48 -136.38 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.336 -0.852 . . . . 5.8799999999999999 111.586 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.477 ' H ' ' CG ' ' A' ' 144' ' ' LYS . 0.2 OUTLIER -44.84 -91.98 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.437 -0.789 . . . . 5.9500000000000002 110.58 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . 1.211 ' O ' ' NH2' ' A' ' 148' ' ' ARG . 22.2 p -89.27 12.27 16.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.466 -0.771 . . . . 6.1399999999999997 109.421 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 1.536 ' HB3' ' CG ' ' A' ' 143' ' ' ASP . 10.1 m120 -63.28 53.6 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.774 0.797 . . . . 4.5199999999999996 109.663 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ARG . . . . . 1.211 ' NH2' ' O ' ' A' ' 146' ' ' THR . 0.0 OUTLIER -89.82 -12.01 40.41 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.144 -0.972 . . . . 5.7999999999999998 109.736 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -31.75 37.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.526 -0.734 . . . . 5.5599999999999996 110.922 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -138.32 -148.07 0.25 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.995 . . . . 5.0800000000000001 110.388 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.897 ' O ' ' HG ' ' A' ' 116' ' ' LEU . . . 138.61 128.48 2.59 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.591 -1.404 . . . . 1.1200000000000001 109.591 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 1.107 ' O ' ' HB2' ' A' ' 141' ' ' MET . 13.8 p90 -118.82 134.61 55.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.316 -1.108 . . . . 1.46 109.355 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.575 ' H ' HG23 ' A' ' 113' ' ' VAL . . . -110.39 169.83 13.72 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.658 -1.258 . . . . 0.34000000000000002 110.526 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.629 ' HB2' ' HG2' ' A' ' 139' ' ' MET . 36.3 m-85 -132.52 101.98 5.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.482 -1.011 . . . . 1.55 109.824 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.78 ' O ' ' OG1' ' A' ' 156' ' ' THR . 1.8 t -103.22 -168.78 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.25 109.639 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.946 ' OG1' ' CB ' ' A' ' 110' ' ' LYS . 55.4 m -176.1 114.94 0.12 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.866 -1.133 . . . . 0.28000000000000003 111.535 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' PHE . . . . . 1.374 ' CE2' HG22 ' A' ' 163' ' ' VAL . 0.1 OUTLIER -133.35 110.54 10.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.644 -0.66 . . . . 1.23 109.501 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 157' ' ' PHE . 0.6 OUTLIER -38.97 -18.14 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.119 -0.988 . . . . 2.5 110.127 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 159' ' ' SER . . . . . 1.068 ' O ' HG22 ' A' ' 162' ' ' ILE . 8.6 m -71.97 72.68 0.85 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 1.03 110.061 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.546 ' HA ' ' CG2' ' A' ' 163' ' ' VAL . 0.5 OUTLIER -54.85 -40.76 69.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.156 -0.965 . . . . 2.0299999999999998 109.34 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' A' ' 160' ' ' GLU . 0.3 OUTLIER -37.9 -53.43 1.33 Allowed 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.69 -0.804 . . . . 1.8700000000000001 108.997 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ILE . . . . . 1.068 HG22 ' O ' ' A' ' 159' ' ' SER . 1.2 tp -64.28 -45.43 96.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.574 -0.704 . . . . 1.1899999999999999 109.243 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 1.374 HG22 ' CE2' ' A' ' 157' ' ' PHE . 1.2 t -61.13 -28.39 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -0.881 . . . . 0.46000000000000002 108.93 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 160' ' ' GLU . 0.1 OUTLIER -60.12 -50.12 74.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.452 -0.78 . . . . 1.8 110.069 179.489 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 167' ' ' CYS . 9.5 tttt -88.7 -65.49 1.01 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.371 -0.831 . . . . 2.6099999999999999 109.744 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.911 HG12 ' O ' ' A' ' 162' ' ' ILE . 3.3 p -41.28 -23.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.421 -0.799 . . . . 1.1499999999999999 109.746 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' CYS . . . . . 1.209 ' HB3' ' O ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER -80.37 -32.31 37.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 1.8799999999999999 110.235 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.947 ' O ' ' O ' ' A' ' 169' ' ' ILE . 3.0 tt0 -73.28 -114.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.185 -0.947 . . . . 2.3300000000000001 110.076 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 1.158 ' CG2' ' H ' ' A' ' 170' ' ' HIS . 1.1 mp 17.15 -151.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.216 -0.927 . . . . 5.0499999999999998 109.801 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 1.158 ' H ' ' CG2' ' A' ' 169' ' ' ILE . 0.0 OUTLIER -170.74 -39.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.096 -1.002 . . . . 4.7400000000000002 110.553 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.159 ' CZ ' ' HB3' ' A' ' 178' ' ' MET . 5.5 t80 -86.35 87.82 7.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.164 -0.96 . . . . 1.78 110.309 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.954 ' O ' ' HA ' ' A' ' 178' ' ' MET . 0.1 OUTLIER -90.03 165.57 13.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.376 -0.828 . . . . 1.77 110.093 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.568 ' O ' ' CZ ' ' A' ' 128' ' ' TYR . 3.1 tt0 -113.79 97.05 6.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.898 . . . . 2.29 109.901 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ILE . . . . . 1.035 HD11 HG23 ' A' ' 125' ' ' VAL . 0.9 OUTLIER -104.14 105.95 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.337 -0.852 . . . . 1.51 109.744 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.932 ' OD1' ' CG ' ' A' ' 124' ' ' ASP . 0.9 OUTLIER 57.19 -40.91 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 2.02 110.245 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.807 ' N ' ' O ' ' A' ' 174' ' ' ILE . 31.4 p30 174.36 35.34 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.344 -0.847 . . . . 1.3600000000000001 109.93 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LYS . . . . . 1.089 ' HE3' ' HB2' ' A' ' 117' ' ' SER . 1.9 tptt -138.82 142.98 38.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.36 -0.838 . . . . 2.3700000000000001 110.474 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' MET . . . . . 1.159 ' HB3' ' CZ ' ' A' ' 171' ' ' PHE . 0.0 OUTLIER -79.12 9.67 4.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.259 -0.901 . . . . 2.77 109.755 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 179' ' ' VAL . . . . . 1.068 ' O ' ' O ' ' A' ' 178' ' ' MET . 27.5 m -17.72 164.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.433 -0.792 . . . . 0.83999999999999997 110.612 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.939 ' OE2' ' HE2' ' A' ' 182' ' ' LYS . 29.5 tt0 -111.63 149.7 31.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.359 -0.838 . . . . 1.6799999999999999 110.113 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' CYS . . . . . 0.849 ' SG ' ' CZ ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -124.08 145.36 49.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.189 -0.944 . . . . 1.8799999999999999 110.605 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LYS . . . . . 0.939 ' HE2' ' OE2' ' A' ' 180' ' ' GLU . 14.7 mttt -148.58 136.76 21.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.402 -0.811 . . . . 2.3500000000000001 109.591 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' LYS . . . . . 1.107 ' O ' ' CD ' ' A' ' 183' ' ' LYS . 0.0 OUTLIER -65.26 82.56 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.135 -0.978 . . . . 3.6899999999999999 110.13 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.975 ' HB2' ' CB ' ' A' ' 112' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 1.3100000000000001 110.325 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.946 ' CB ' ' OG1' ' A' ' 156' ' ' THR . 3.8 pttt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.056 0.455 . . . . 1.6100000000000001 110.217 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 1.347 HG21 ' CZ ' ' A' ' 157' ' ' PHE . 6.6 pt -104.9 172.61 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.125 -0.984 . . . . 1.4199999999999999 110.397 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.975 ' CB ' ' HB2' ' A' ' 184' ' ' ALA . 4.2 t80 -127.71 156.83 41.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.314 -0.866 . . . . 1.46 110.219 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.715 HG12 ' SG ' ' A' ' 181' ' ' CYS . 0.7 OUTLIER -149.96 152.88 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 0.45000000000000001 110.484 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -145.31 161.01 28.16 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.498 -1.441 . . . . 0.60999999999999999 109.498 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.696 ' C ' HG12 ' A' ' 179' ' ' VAL . . . 95.45 -5.36 67.47 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.512 -1.435 . . . . 0.79000000000000004 109.512 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.08 HD13 HD23 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -45.7 91.74 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.267 -1.137 . . . . 1.72 110.351 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 1.089 ' HB2' ' HE3' ' A' ' 177' ' ' LYS . 2.1 t -45.47 -168.0 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 1.9399999999999999 110.175 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.278 ' O ' ' N ' ' A' ' 120' ' ' THR . 30.8 t -82.75 -152.59 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.364 -0.835 . . . . 2.3100000000000001 110.291 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 1.0 ' H ' HG12 ' A' ' 118' ' ' VAL . 0.0 OUTLIER 32.93 -14.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.243 -0.911 . . . . 1.8500000000000001 110.031 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 1.278 ' N ' ' O ' ' A' ' 118' ' ' VAL . 59.1 m -72.42 142.77 48.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 0.80000000000000004 110.111 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.768 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 6.2 t -139.84 150.09 44.25 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.93999999999999995 110.235 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.969 ' HA ' HD12 ' A' ' 140' ' ' LEU . 2.1 t -36.82 -51.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.147 -0.97 . . . . 0.56999999999999995 110.145 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.546 ' O ' ' HD2' ' A' ' 127' ' ' HIS . 2.1 tt0 -41.5 -23.57 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.546 -0.909 . . . . 2.2200000000000002 108.546 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 1.08 ' CG ' ' ND2' ' A' ' 175' ' ' ASN . 60.3 m-20 -75.78 -57.69 3.73 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.234 0.54 . . . . 2.1800000000000002 110.078 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 1.035 HG23 HD11 ' A' ' 174' ' ' ILE . 0.9 OUTLIER -67.39 -47.9 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.278 -0.889 . . . . 0.94999999999999996 109.839 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 1.102 ' HB2' ' HB3' ' A' ' 138' ' ' ALA . 57.4 tttt -50.01 -54.83 17.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.456 -0.778 . . . . 1.96 109.701 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.842 ' CD2' ' HA ' ' A' ' 124' ' ' ASP . 0.7 OUTLIER -65.55 -27.4 68.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -0.843 . . . . 1.27 109.635 179.442 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 1.08 ' O ' ' HG2' ' A' ' 131' ' ' GLN . 13.5 t80 -70.09 -70.16 0.31 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.445 -0.785 . . . . 2.0600000000000001 110.392 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.849 ' CZ ' ' SG ' ' A' ' 181' ' ' CYS . 30.0 m-85 -67.15 -16.53 64.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.104 -0.997 . . . . 1.29 110.588 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.923 ' HB2' ' O ' ' A' ' 126' ' ' LYS . 72.3 tt0 -55.76 -38.95 70.54 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.749 -1.204 . . . . 2.2400000000000002 107.749 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 1.08 ' HG2' ' O ' ' A' ' 128' ' ' TYR . 18.4 pt20 -76.77 -13.76 59.99 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.528 -1.286 . . . . 1.4399999999999999 107.528 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.963 ' HB3' HG12 ' A' ' 162' ' ' ILE . 34.3 m-85 -93.95 -32.69 13.76 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 115.657 -0.701 . . . . 1.3899999999999999 109.838 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 1.099 ' O ' ' N ' ' A' ' 135' ' ' VAL . . . -163.86 132.32 2.69 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.552 -1.419 . . . . 1.23 109.552 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.704 ' NZ ' ' HB2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -15.29 -31.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.353 -1.086 . . . . 3.0699999999999998 110.612 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 1.153 ' O ' HG12 ' A' ' 135' ' ' VAL . 1.4 t 34.96 66.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.252 -0.905 . . . . 0.26000000000000001 111.002 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.542 ' C ' ' OD1' ' A' ' 137' ' ' ASP . 0.1 OUTLIER -61.65 -27.07 68.41 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.14 -0.975 . . . . 1.48 108.573 178.691 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.542 ' OD1' ' C ' ' A' ' 136' ' ' ASP . 2.2 m-20 -135.42 136.35 41.31 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 121.379 0.609 . . . . 1.3400000000000001 109.721 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 1.102 ' HB3' ' HB2' ' A' ' 126' ' ' LYS . . . -143.5 86.78 1.9 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.403 -0.811 . . . . 0.23000000000000001 109.091 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.932 ' HG3' ' N ' ' A' ' 140' ' ' LEU . 0.0 OUTLIER -89.34 169.05 11.75 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.611 0.72 . . . . 2.0899999999999999 111.344 -178.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 1.08 HD23 HD13 ' A' ' 116' ' ' LEU . 0.4 OUTLIER -149.4 139.91 22.47 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.646 -0.659 . . . . 1.51 109.65 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . 1.107 ' HB2' ' O ' ' A' ' 152' ' ' PHE . 18.7 mmt -117.85 106.66 13.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.16 -0.962 . . . . 1.52 110.816 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.986 ' CE2' ' O ' ' A' ' 120' ' ' THR . 10.8 m-85 -89.58 154.51 19.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 1.74 109.066 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 1.536 ' CG ' ' HB3' ' A' ' 147' ' ' ASN . 2.0 t0 -56.93 160.21 3.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.965 -1.085 . . . . 3.7400000000000002 110.246 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 1.025 ' HB3' ' ND2' ' A' ' 147' ' ' ASN . 1.2 tptt -45.48 -136.38 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.336 -0.852 . . . . 5.8799999999999999 111.586 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.477 ' H ' ' CG ' ' A' ' 144' ' ' LYS . 0.2 OUTLIER -44.84 -91.98 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.437 -0.789 . . . . 5.9500000000000002 110.58 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 1.211 ' O ' ' NH2' ' A' ' 148' ' ' ARG . 22.2 p -89.27 12.27 16.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.466 -0.771 . . . . 6.1399999999999997 109.421 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 1.536 ' HB3' ' CG ' ' A' ' 143' ' ' ASP . 35.1 m-80 -63.28 53.6 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.774 0.797 . . . . 4.5199999999999996 109.663 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . 1.211 ' NH2' ' O ' ' A' ' 146' ' ' THR . 0.0 OUTLIER -89.82 -12.01 40.41 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.144 -0.972 . . . . 5.7999999999999998 109.736 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -31.75 37.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.526 -0.734 . . . . 5.5599999999999996 110.922 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -138.32 -148.07 0.25 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.995 . . . . 5.0800000000000001 110.388 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.897 ' O ' ' HG ' ' A' ' 116' ' ' LEU . . . 138.61 128.48 2.59 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.591 -1.404 . . . . 1.1200000000000001 109.591 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 1.107 ' O ' ' HB2' ' A' ' 141' ' ' MET . 13.8 p90 -118.82 134.61 55.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.316 -1.108 . . . . 1.46 109.355 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.575 ' H ' HG23 ' A' ' 113' ' ' VAL . . . -110.39 169.83 13.72 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 119.658 -1.258 . . . . 0.34000000000000002 110.526 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.629 ' HB2' ' HG2' ' A' ' 139' ' ' MET . 36.3 m-85 -132.52 101.98 5.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.482 -1.011 . . . . 1.55 109.824 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.78 ' O ' ' OG1' ' A' ' 156' ' ' THR . 1.8 t -103.22 -168.78 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.25 109.639 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.946 ' OG1' ' CB ' ' A' ' 110' ' ' LYS . 55.4 m -176.1 114.94 0.12 Allowed 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.866 -1.133 . . . . 0.28000000000000003 111.535 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . 1.374 ' CE2' HG22 ' A' ' 163' ' ' VAL . 0.1 OUTLIER -133.35 110.54 10.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.644 -0.66 . . . . 1.23 109.501 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 157' ' ' PHE . 0.6 OUTLIER -38.97 -18.14 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.119 -0.988 . . . . 2.5 110.127 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 1.068 ' O ' HG22 ' A' ' 162' ' ' ILE . 8.6 m -71.97 72.68 0.85 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 1.03 110.061 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.546 ' HA ' ' CG2' ' A' ' 163' ' ' VAL . 0.5 OUTLIER -54.85 -40.76 69.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.156 -0.965 . . . . 2.0299999999999998 109.34 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' A' ' 160' ' ' GLU . 0.3 OUTLIER -37.9 -53.43 1.33 Allowed 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.69 -0.804 . . . . 1.8700000000000001 108.997 179.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . 1.068 HG22 ' O ' ' A' ' 159' ' ' SER . 1.2 tp -64.28 -45.43 96.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.574 -0.704 . . . . 1.1899999999999999 109.243 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 1.374 HG22 ' CE2' ' A' ' 157' ' ' PHE . 1.2 t -61.13 -28.39 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -0.881 . . . . 0.46000000000000002 108.93 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 160' ' ' GLU . 0.1 OUTLIER -60.12 -50.12 74.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.452 -0.78 . . . . 1.8 110.069 179.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 167' ' ' CYS . 9.5 tttt -88.7 -65.49 1.01 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.371 -0.831 . . . . 2.6099999999999999 109.744 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.911 HG12 ' O ' ' A' ' 162' ' ' ILE . 3.3 p -41.28 -23.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.421 -0.799 . . . . 1.1499999999999999 109.746 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' CYS . . . . . 1.209 ' HB3' ' O ' ' A' ' 163' ' ' VAL . 0.0 OUTLIER -80.37 -32.31 37.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 1.8799999999999999 110.235 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.947 ' O ' ' O ' ' A' ' 169' ' ' ILE . 3.0 tt0 -73.28 -114.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.185 -0.947 . . . . 2.3300000000000001 110.076 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 1.158 ' CG2' ' H ' ' A' ' 170' ' ' HIS . 1.1 mp 17.15 -151.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.216 -0.927 . . . . 5.0499999999999998 109.801 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 1.158 ' H ' ' CG2' ' A' ' 169' ' ' ILE . 0.0 OUTLIER -170.74 -39.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.096 -1.002 . . . . 4.7400000000000002 110.553 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.159 ' CZ ' ' HB3' ' A' ' 178' ' ' MET . 5.5 t80 -86.35 87.82 7.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.164 -0.96 . . . . 1.78 110.309 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.954 ' O ' ' HA ' ' A' ' 178' ' ' MET . 0.1 OUTLIER -90.03 165.57 13.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.376 -0.828 . . . . 1.77 110.093 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.568 ' O ' ' CZ ' ' A' ' 128' ' ' TYR . 3.1 tt0 -113.79 97.05 6.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.898 . . . . 2.29 109.901 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . 1.035 HD11 HG23 ' A' ' 125' ' ' VAL . 0.9 OUTLIER -104.14 105.95 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.337 -0.852 . . . . 1.51 109.744 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 1.08 ' ND2' ' CG ' ' A' ' 124' ' ' ASP . 4.3 m-80 57.19 -40.91 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 2.02 110.245 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.807 ' N ' ' O ' ' A' ' 174' ' ' ILE . 0.1 OUTLIER 174.36 35.34 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.344 -0.847 . . . . 1.3600000000000001 109.93 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . 1.089 ' HE3' ' HB2' ' A' ' 117' ' ' SER . 1.9 tptt -138.82 142.98 38.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.36 -0.838 . . . . 2.3700000000000001 110.474 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' MET . . . . . 1.159 ' HB3' ' CZ ' ' A' ' 171' ' ' PHE . 0.0 OUTLIER -79.12 9.67 4.25 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.259 -0.901 . . . . 2.77 109.755 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . 1.068 ' O ' ' O ' ' A' ' 178' ' ' MET . 27.5 m -17.72 164.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.433 -0.792 . . . . 0.83999999999999997 110.612 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.939 ' OE2' ' HE2' ' A' ' 182' ' ' LYS . 29.5 tt0 -111.63 149.7 31.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.359 -0.838 . . . . 1.6799999999999999 110.113 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' CYS . . . . . 0.849 ' SG ' ' CZ ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -124.08 145.36 49.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.189 -0.944 . . . . 1.8799999999999999 110.605 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . 0.939 ' HE2' ' OE2' ' A' ' 180' ' ' GLU . 14.7 mttt -148.58 136.76 21.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.402 -0.811 . . . . 2.3500000000000001 109.591 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . 1.107 ' O ' ' CD ' ' A' ' 183' ' ' LYS . 0.0 OUTLIER -65.26 82.56 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.135 -0.978 . . . . 3.6899999999999999 110.13 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.975 ' HB2' ' CB ' ' A' ' 112' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 1.3100000000000001 110.325 -179.887 . . . . . . . . 1 1 . 1 stop_ save_