data_1vrf_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 1vrf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.208 -1.557 . . . . 2.75 109.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.6 142.99 49.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.181 -1.188 . . . . 2.2000000000000002 109.602 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.82 172.19 6.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.283 -0.886 . . . . 1.76 109.659 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.0 71.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.285 -0.884 . . . . 1.52 109.633 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.417 ' O ' ' CG2' ' A' ' 9' ' ' VAL . . . -81.65 -49.54 10.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.943 . . . . 1.3999999999999999 109.628 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.447 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 39.1 mt-30 -54.63 -51.09 66.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.148 -0.97 . . . . 1.5800000000000001 109.352 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -50.35 -36.91 34.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 2.4199999999999999 109.289 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -79.34 -43.44 23.53 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.337 -0.852 . . . . 2.1099999999999999 109.349 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 125' ' ' ALA . 18.9 t -60.97 -19.1 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 1.1299999999999999 109.36 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 6' ' ' GLN . 66.7 t -75.38 -50.59 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 1.1100000000000001 109.48 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.5 -14.71 63.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 1.1299999999999999 109.801 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.41 -25.67 26.86 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.173 -0.954 . . . . 1.71 109.832 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.487 ' OG1' ' CE2' ' A' ' 130' ' ' TRP . 24.3 p -97.57 -15.31 20.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.243 -0.911 . . . . 1.0700000000000001 109.942 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -88.73 -20.07 25.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.082 -1.011 . . . . 0.27000000000000002 109.579 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -81.41 4.06 22.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.205 -0.934 . . . . 2.0 109.83 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -120.67 -50.29 2.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.077 -1.014 . . . . 1.54 109.795 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.457 ' CG1' HG12 ' A' ' 118' ' ' ILE . 38.6 mt -65.61 -49.24 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 1.0800000000000001 109.336 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.544 ' CB ' ' CZ3' ' A' ' 14' ' ' TRP . . . -72.66 -51.91 17.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.345 -0.847 . . . . 1.0700000000000001 109.434 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.38 -98.78 0.01 OUTLIER Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.469 -1.452 . . . . 0.44 109.469 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' ALA . 85.7 p -109.31 -33.47 6.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.334 -1.097 . . . . 1.0900000000000001 109.219 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.465 ' HB2' ' CB ' ' A' ' 24' ' ' ALA . 4.8 p-10 -70.21 -15.9 62.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.849 . . . . 1.1899999999999999 109.757 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 64' ' ' ALA . 32.5 t30 62.79 18.9 11.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.177 -0.952 . . . . 1.3400000000000001 109.75 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' HA ' ' A' ' 18' ' ' ALA . . . 98.19 28.36 8.19 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.308 -1.517 . . . . 0.53000000000000003 109.308 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 21' ' ' ASP . . . -57.9 -44.94 87.09 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -1.152 . . . . 1.1000000000000001 109.515 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' HA2' ' HG2' ' A' ' 28' ' ' LYS . . . -89.14 15.42 58.19 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.465 -1.454 . . . . 0.73999999999999999 109.465 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' HB ' ' HG ' ' A' ' 63' ' ' LEU . 48.2 t -105.92 -32.64 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.146 -1.208 . . . . 1.1200000000000001 109.332 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.428 ' HA3' ' CA ' ' A' ' 59' ' ' GLY . . . -89.35 -39.21 6.42 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.244 -1.542 . . . . 0.47999999999999998 109.244 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 17.0 ptpt -63.9 -30.04 71.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.103 -1.234 . . . . 1.4299999999999999 109.613 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 21.2 pt-20 -94.1 -18.64 21.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.949 . . . . 1.6299999999999999 109.629 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 26' ' ' VAL . 33.7 t -84.74 -61.76 1.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.306 -0.871 . . . . 0.94999999999999996 109.723 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.51 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 23.2 m-85 -57.35 -33.09 67.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.189 -0.945 . . . . 2.23 109.724 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.47 HG23 ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -51.27 -60.19 3.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.161 -0.962 . . . . 1.6100000000000001 109.44 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -58.25 -39.15 78.4 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -0.871 . . . . 2.4199999999999999 109.495 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.517 ' CG ' HD22 ' A' ' 106' ' ' LEU . 8.5 t80 -60.18 -56.96 15.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.919 . . . . 2.27 109.455 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD21 ' CG ' ' A' ' 45' ' ' PHE . 12.3 mt -51.93 -43.9 63.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 1.0900000000000001 109.618 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -64.07 -70.97 0.19 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.319 -0.863 . . . . 1.52 109.641 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.02 -25.11 3.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 1.1299999999999999 109.615 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.5 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 13.2 m-70 -117.25 93.85 4.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.293 -0.88 . . . . 0.57999999999999996 109.641 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -80.08 -19.7 46.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.853 . . . . 1.2 109.519 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -71.4 -18.47 62.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.227 -0.921 . . . . 1.1399999999999999 109.484 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.467 ' CE ' HMB1 ' A' ' 148' ' ' HEM . 87.1 mmm -106.46 -25.11 12.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.244 -0.91 . . . . 1.3700000000000001 109.718 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . . . -48.01 -37.89 15.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.143 -0.973 . . . . 1.0600000000000001 109.733 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.46 -22.79 47.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.921 . . . . 1.1299999999999999 109.376 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' CG1' ' ND2' ' A' ' 95' ' ' ASN . 37.9 t -73.02 -34.71 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 1.21 109.48 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.512 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . 13.2 m-85 -76.17 -42.2 47.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 2.1800000000000002 109.742 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.25 34.84 1.07 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.206 -1.558 . . . . 0.81999999999999995 109.206 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.518 ' CD2' HG22 ' A' ' 55' ' ' VAL . 13.6 m-85 -125.93 168.87 13.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -1.13 . . . . 2.1099999999999999 109.695 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 t -107.28 20.76 18.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.288 -0.882 . . . . 1.4099999999999999 109.394 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.37 -165.78 28.22 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.099 -1.601 . . . . 0.76000000000000001 109.099 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 36' ' ' SER . . . -92.74 23.93 3.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -1.162 . . . . 1.3100000000000001 109.612 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 t -121.57 19.78 11.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.218 -0.926 . . . . 1.78 109.68 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.42 136.46 19.38 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 2.1699999999999999 109.593 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -65.78 -19.87 58.99 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 123.922 1.485 . . . . 0.97999999999999998 110.006 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.515 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -54.91 -37.17 61.69 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.24 -1.544 . . . . 0.54000000000000004 109.24 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.518 HG22 ' CD2' ' A' ' 47' ' ' PHE . 84.8 t -51.06 -55.42 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -1.14 . . . . 1.1000000000000001 109.408 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 28' ' ' LYS . . . -54.91 -21.83 12.87 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.26 -0.9 . . . . 1.1299999999999999 109.21 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.0 -34.85 59.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.352 -0.842 . . . . 1.6599999999999999 109.437 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.468 HD21 ' CHA' ' A' ' 148' ' ' HEM . 6.7 mt -84.19 -59.46 2.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -0.925 . . . . 1.21 109.447 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.51 ' HA2' ' CE2' ' A' ' 31' ' ' PHE . . . -49.26 -51.54 25.82 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.354 -1.499 . . . . 0.47999999999999998 109.354 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 56' ' ' ALA . . . -53.45 -39.77 64.71 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.159 -1.201 . . . . 1.1200000000000001 109.468 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -80.11 -29.24 38.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.289 -0.882 . . . . 2.1299999999999999 109.498 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 58' ' ' LEU . 44.3 t -75.64 -47.38 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.284 -0.885 . . . . 1.0800000000000001 109.576 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.418 ' HG ' ' HB ' ' A' ' 26' ' ' VAL . 1.1 mm? -49.34 -47.91 46.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.208 -0.932 . . . . 2.1200000000000001 109.656 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' HA ' ' ND2' ' A' ' 22' ' ' ASN . . . -48.61 -47.8 39.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.17 -0.956 . . . . 1.0600000000000001 109.671 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -51.09 -56.16 14.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.17 -0.956 . . . . 1.73 109.348 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.444 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 57.1 mt -52.99 -37.82 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -0.939 . . . . 1.4099999999999999 108.987 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.536 ' HA3' ' CH2' ' A' ' 14' ' ' TRP . . . -58.87 -53.25 47.91 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.826 -1.71 . . . . 0.28999999999999998 108.826 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.09 -24.29 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -1.106 . . . . 1.1599999999999999 109.237 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.81 -21.63 28.03 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.349 -0.844 . . . . 1.0800000000000001 109.462 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 47.4 t -70.12 -19.35 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.268 -0.895 . . . . 1.1799999999999999 109.558 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 58.8 m -89.91 31.04 0.99 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.159 -0.963 . . . . 1.73 110.09 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 74' ' ' GLY . 7.5 m-70 -159.53 -43.27 0.05 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.992 -1.067 . . . . 1.6899999999999999 110.175 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 4.5 mm? 42.87 -88.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.806 -0.559 . . . . 1.72 110.703 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 72' ' ' HIS . . . -75.65 -28.25 61.59 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.219 -1.552 . . . . 1.1499999999999999 109.219 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.67 89.82 0.07 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.244 -1.15 . . . . 2.1499999999999999 109.603 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HA ' HG22 ' A' ' 80' ' ' VAL . 32.2 mt-10 -95.42 24.18 5.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.917 . . . . 4.0899999999999999 109.628 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.35 -37.93 26.64 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.151 -1.58 . . . . 2.1899999999999999 109.151 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -128.78 -37.31 1.76 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.293 -1.122 . . . . 3.1699999999999999 109.705 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.459 ' HB2' ' CB ' ' A' ' 72' ' ' HIS . 65.0 ttp -48.07 -49.27 32.17 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.126 -0.984 . . . . 1.3700000000000001 109.666 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 49.0 t -70.05 -21.85 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.281 -0.887 . . . . 1.3999999999999999 109.457 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.53 -43.99 93.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.202 -0.936 . . . . 1.4099999999999999 109.517 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -84.01 -45.42 13.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 2.3700000000000001 109.559 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 141' ' ' LEU . 1.4 mtp -59.68 -49.05 79.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.208 -0.933 . . . . 1.0600000000000001 109.422 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 8.7 tmtt? -54.17 -35.81 62.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.201 -0.937 . . . . 2.4900000000000002 109.177 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 89' ' ' ARG . . . -64.99 -41.05 95.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.351 -0.843 . . . . 1.26 109.305 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 141' ' ' LEU . 25.5 t -52.61 -50.73 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -0.891 . . . . 1.1599999999999999 109.373 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.413 ' HA2' HD11 ' A' ' 145' ' ' LEU . . . -52.65 -52.15 39.82 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.845 -1.702 . . . . 0.51000000000000001 108.845 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.464 ' CG2' ' HA3' ' A' ' 144' ' ' GLY . 84.9 t -51.67 -27.98 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -1.126 . . . . 1.3999999999999999 109.288 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 93' ' ' TYR . 6.4 mmm180 -82.2 -43.79 17.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.84 . . . . 2.6600000000000001 109.184 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 93' ' ' TYR . 18.4 m80 -57.28 -46.2 83.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.38 -0.825 . . . . 0.69999999999999996 109.424 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -56.46 -19.13 13.78 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.163 -0.961 . . . . 2.1400000000000001 109.852 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 91' ' ' LYS . . . -111.75 37.77 3.55 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.001 -1.64 . . . . 1.1599999999999999 109.001 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.525 ' CE1' ' HA ' ' A' ' 90' ' ' HIS . 4.2 m-30 -88.61 -164.78 1.18 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.328 -1.101 . . . . 2.5600000000000001 109.989 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.18 -45.86 4.61 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.688 -1.365 . . . . 0.68999999999999995 109.688 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.5 ' ND2' ' CG1' ' A' ' 44' ' ' VAL . 9.0 p-10 -59.08 -30.83 68.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.094 -1.239 . . . . 1.8300000000000001 109.301 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.12 31.71 15.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.38 -0.825 . . . . 3.3599999999999999 109.91 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.47 ' HB2' ' ND2' ' A' ' 95' ' ' ASN . 8.6 m170 -128.39 -93.89 0.44 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.262 -0.898 . . . . 1.77 108.95 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.5 ' O ' ' CD ' ' A' ' 99' ' ' LYS . 9.4 mt 61.48 134.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 CA-C-O 122.311 1.053 . . . . 1.1699999999999999 110.349 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -146.46 144.15 29.47 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.156 0.979 . . . . 2.29 110.873 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' CB ' HD13 ' A' ' 142' ' ' ILE . . . -71.54 -22.42 61.76 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 108.098 -1.075 . . . . 1.25 108.098 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 5.1 mm-40 -62.84 -30.58 71.6 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 108.15 -1.056 . . . . 2.6299999999999999 108.15 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.515 ' CD2' ' HB2' ' A' ' 99' ' ' LYS . 19.0 m-85 -80.49 -24.98 39.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.559 -0.713 . . . . 2.1699999999999999 109.731 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.545 ' CD2' ' CMC' ' A' ' 148' ' ' HEM . 3.7 m-85 -60.03 -57.26 13.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.173 -0.955 . . . . 1.54 110.022 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.496 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -44.64 -58.06 5.83 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.422 -0.799 . . . . 1.8600000000000001 110.67 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 104' ' ' GLU . 3.3 Cg_endo -54.89 -51.83 9.42 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.718 1.378 . . . . 0.65000000000000002 109.889 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.517 HD22 ' CG ' ' A' ' 34' ' ' PHE . 3.4 tm? -60.03 -23.99 64.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 1.1399999999999999 109.242 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.75 -52.75 3.58 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.094 -1.602 . . . . 0.42999999999999999 109.094 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.41 -49.63 77.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.214 -1.168 . . . . 1.21 109.43 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 t -58.35 -25.95 62.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 1.3999999999999999 109.439 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.441 ' CD2' ' OH ' ' A' ' 134' ' ' TYR . 3.9 tt -65.36 -43.26 91.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.296 -0.878 . . . . 1.3100000000000001 109.576 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.465 ' CD1' ' HB1' ' A' ' 131' ' ' ALA . 12.8 mt -54.68 -43.21 72.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.21 -0.932 . . . . 1.1599999999999999 109.357 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.6 -29.1 58.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 1.28 109.417 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 116' ' ' HIS . . . -83.56 -39.44 20.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.291 -0.881 . . . . 1.2 109.777 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.544 ' CE ' ' CZ3' ' A' ' 130' ' ' TRP . 4.2 mmt -48.45 -45.41 36.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.194 -0.941 . . . . 1.3400000000000001 109.881 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -26.97 4.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.266 -0.897 . . . . 1.97 109.864 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 113' ' ' ALA . 29.2 m170 -53.94 -46.84 71.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.165 -0.959 . . . . 0.76000000000000001 110.111 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -79.74 -67.95 0.71 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.981 . . . . 2.2200000000000002 110.174 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.457 HG12 ' CG1' ' A' ' 17' ' ' ILE . 4.2 pt -91.97 53.38 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.182 -0.949 . . . . 1.0900000000000001 109.906 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.14 -26.77 70.65 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.541 -1.424 . . . . 1.6200000000000001 109.541 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -89.0 -17.12 56.84 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.487 -1.445 . . . . 1.29 109.487 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.415 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 31.0 mttt -106.56 -20.19 13.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.084 -1.245 . . . . 2.4500000000000002 109.777 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 118' ' ' ILE . 7.7 tpt -64.09 94.09 0.1 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.214 -0.928 . . . . 1.1000000000000001 109.415 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 125' ' ' ALA . 9.1 p-10 -100.67 -176.97 3.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.264 -0.898 . . . . 1.73 109.803 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.19 90.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.392 -0.818 . . . . 1.1799999999999999 110.386 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.458 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -66.19 -13.57 60.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 1.0600000000000001 110.065 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.42 ' HA ' HG13 ' A' ' 9' ' ' VAL . . . -89.66 -43.04 11.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.085 -1.009 . . . . 1.03 110.048 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -77.72 -26.68 50.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.094 -1.004 . . . . 1.6200000000000001 109.966 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 129' ' ' ALA . 3.3 p-10 -81.22 -32.99 33.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.065 -1.022 . . . . 1.3100000000000001 109.727 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.477 ' N ' ' OD1' ' A' ' 128' ' ' ASP . . . -71.82 -42.3 67.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 1.0700000000000001 109.506 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.544 ' CZ3' ' CE ' ' A' ' 114' ' ' MET . 3.0 m0 -74.24 -29.52 61.73 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.353 -0.842 . . . . 0.45000000000000001 109.224 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 111' ' ' LEU . . . -68.84 -37.49 79.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 1.21 109.059 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.22 -30.56 27.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.293 -0.879 . . . . 1.1899999999999999 109.249 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.78 -39.57 56.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.427 -0.796 . . . . 1.1799999999999999 109.478 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.441 ' OH ' ' CD2' ' A' ' 110' ' ' LEU . 2.9 m-85 -54.62 -27.71 41.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 4.5300000000000002 109.331 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.91 -32.85 69.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.254 -0.904 . . . . 1.28 109.471 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.56 -38.74 29.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 1.52 109.43 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.403 HG22 HG12 ' A' ' 66' ' ' ILE . 62.1 mt -66.31 -58.18 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.331 -0.855 . . . . 1.3999999999999999 109.259 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.31 -29.76 68.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.383 -0.823 . . . . 1.6200000000000001 109.59 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -68.91 -45.08 65.13 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.191 -1.564 . . . . 0.53000000000000003 109.191 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.82 -27.34 63.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -1.158 . . . . 1.1399999999999999 109.641 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.465 ' HB2' ' CE ' ' A' ' 83' ' ' MET . 10.4 tt -73.63 -18.26 61.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 1.1699999999999999 109.717 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.443 HD13 ' CB ' ' A' ' 100' ' ' ALA . 47.7 mt -77.99 0.7 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.193 -0.942 . . . . 1.9199999999999999 110.079 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.9 m -71.73 -54.48 10.13 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.959 -1.088 . . . . 1.4399999999999999 109.407 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 88' ' ' VAL . . . -93.55 8.91 74.43 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.468 -1.453 . . . . 0.80000000000000004 109.468 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.503 ' CD2' ' NE2' ' A' ' 146' ' ' GLN . 26.2 tp -88.48 170.33 10.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.025 -1.28 . . . . 1.8999999999999999 109.538 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.503 ' NE2' ' CD2' ' A' ' 145' ' ' LEU . 9.3 mp0 57.14 81.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.905 . . . . 1.98 109.655 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.002 -0.999 . . . . 3.6200000000000001 109.651 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' HEM . . . . . 0.545 ' CMC' ' CD2' ' A' ' 103' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' CMO . . . . . 0.401 ' C ' HG21 ' A' ' 62' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.208 -1.557 . . . . 2.4199999999999999 109.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 133' ' ' ALA . 4.2 mm? -71.6 142.99 49.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.181 -1.188 . . . . 1.5700000000000001 109.602 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.82 172.19 6.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.283 -0.886 . . . . 1.3999999999999999 109.659 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.0 71.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.285 -0.884 . . . . 1.02 109.633 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.93 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -81.65 -49.54 10.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.943 . . . . 0.80000000000000004 109.628 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.975 ' O ' HG23 ' A' ' 10' ' ' VAL . 39.1 mt-30 -54.63 -51.09 66.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.148 -0.97 . . . . 1.5800000000000001 109.352 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -50.35 -36.91 34.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 1.8200000000000001 109.289 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -79.34 -43.44 23.53 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.337 -0.852 . . . . 1.71 109.349 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 5' ' ' ALA . 18.9 t -60.97 -19.1 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 0.38 109.36 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.083 HG12 HG13 ' A' ' 70' ' ' VAL . 66.7 t -75.38 -50.59 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 0.39000000000000001 109.48 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.5 -14.71 63.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 0.44 109.801 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.41 -25.67 26.86 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.173 -0.954 . . . . 1.22 109.832 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.451 HG21 ' HB1' ' A' ' 126' ' ' ALA . 24.3 p -97.57 -15.31 20.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.243 -0.911 . . . . 0.26000000000000001 109.942 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.728 ' CD1' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -88.73 -20.07 25.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.082 -1.011 . . . . 0.27000000000000002 109.579 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -81.41 4.06 22.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.205 -0.934 . . . . 1.4299999999999999 109.83 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -120.67 -50.29 2.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.077 -1.014 . . . . 1.54 109.795 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.887 HD12 ' CH2' ' A' ' 130' ' ' TRP . 38.6 mt -65.61 -49.24 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.28999999999999998 109.336 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.81 ' HB1' ' HA ' ' A' ' 22' ' ' ASN . . . -72.66 -51.91 17.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.345 -0.847 . . . . 0.28999999999999998 109.434 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.38 -98.78 0.01 OUTLIER Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.469 -1.452 . . . . 0.44 109.469 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' ALA . 85.7 p -109.31 -33.47 6.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.334 -1.097 . . . . 0.84999999999999998 109.219 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.513 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 4.8 p-10 -70.21 -15.9 62.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.849 . . . . 1.1899999999999999 109.757 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.81 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 32.5 t30 62.79 18.9 11.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.177 -0.952 . . . . 1.1100000000000001 109.75 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' HA ' ' A' ' 18' ' ' ALA . . . 98.19 28.36 8.19 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.308 -1.517 . . . . 0.53000000000000003 109.308 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . . . -57.9 -44.94 87.09 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -1.152 . . . . 0.42999999999999999 109.515 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' HA2' ' HG2' ' A' ' 28' ' ' LYS . . . -89.14 15.42 58.19 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.465 -1.454 . . . . 0.73999999999999999 109.465 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG11 HD11 ' A' ' 63' ' ' LEU . 48.2 t -105.92 -32.64 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.146 -1.208 . . . . 0.41999999999999998 109.332 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.443 ' HA3' ' CA ' ' A' ' 59' ' ' GLY . . . -89.35 -39.21 6.42 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.244 -1.542 . . . . 0.45000000000000001 109.244 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 17.0 ptpt -63.9 -30.04 71.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.103 -1.234 . . . . 0.77000000000000002 109.613 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.861 ' OE2' ' HB1' ' A' ' 113' ' ' ALA . 21.2 pt-20 -94.1 -18.64 21.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.949 . . . . 1.6299999999999999 109.629 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 26' ' ' VAL . 33.7 t -84.74 -61.76 1.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.306 -0.871 . . . . 0.40000000000000002 109.723 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 23.2 m-85 -57.35 -33.09 67.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.189 -0.945 . . . . 1.3300000000000001 109.724 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.746 HG23 HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -51.27 -60.19 3.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.161 -0.962 . . . . 1.0600000000000001 109.44 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HA ' ' OG ' ' A' ' 36' ' ' SER . 12.4 mtpt -58.25 -39.15 78.4 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -0.871 . . . . 1.8300000000000001 109.495 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.625 ' CG ' HD23 ' A' ' 106' ' ' LEU . 8.5 t80 -60.18 -56.96 15.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.919 . . . . 1.3600000000000001 109.455 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.733 ' CD1' HG22 ' A' ' 55' ' ' VAL . 12.3 mt -51.93 -43.9 63.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.40000000000000002 109.618 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.586 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -64.07 -70.97 0.19 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.319 -0.863 . . . . 1.23 109.641 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.02 -25.11 3.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.51000000000000001 109.615 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -117.25 93.85 4.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.293 -0.88 . . . . 0.51000000000000001 109.641 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -80.08 -19.7 46.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.853 . . . . 0.95999999999999996 109.519 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -71.4 -18.47 62.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.227 -0.921 . . . . 1.1399999999999999 109.484 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.493 ' CE ' HMB1 ' A' ' 148' ' ' HEM . 87.1 mmm -106.46 -25.11 12.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.244 -0.91 . . . . 1.3700000000000001 109.718 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . . . -48.01 -37.89 15.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.143 -0.973 . . . . 0.41999999999999998 109.733 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.46 -22.79 47.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.921 . . . . 0.45000000000000001 109.376 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.639 HG13 ' OD1' ' A' ' 95' ' ' ASN . 37.9 t -73.02 -34.71 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 0.37 109.48 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.541 ' CE1' HMB2 ' A' ' 148' ' ' HEM . 13.2 m-85 -76.17 -42.2 47.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 1.26 109.742 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.25 34.84 1.07 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.206 -1.558 . . . . 0.81999999999999995 109.206 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 45' ' ' PHE . 13.6 m-85 -125.93 168.87 13.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -1.13 . . . . 1.23 109.695 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 t -107.28 20.76 18.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.288 -0.882 . . . . 0.90000000000000002 109.394 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.37 -165.78 28.22 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.099 -1.601 . . . . 0.67000000000000004 109.099 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 36' ' ' SER . . . -92.74 23.93 3.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -1.162 . . . . 0.73999999999999999 109.612 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 t -121.57 19.78 11.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.218 -0.926 . . . . 1.5 109.68 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.42 136.46 19.38 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 2.1699999999999999 109.593 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -65.78 -19.87 58.99 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 123.922 1.485 . . . . 0.92000000000000004 110.006 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -54.91 -37.17 61.69 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.24 -1.544 . . . . 0.39000000000000001 109.24 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 32' ' ' THR . 84.8 t -51.06 -55.42 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -1.14 . . . . 0.31 109.408 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -54.91 -21.83 12.87 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.26 -0.9 . . . . 0.46000000000000002 109.21 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.0 -34.85 59.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.352 -0.842 . . . . 1.6599999999999999 109.437 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.935 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.7 mt -84.19 -59.46 2.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -0.925 . . . . 0.40999999999999998 109.447 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.517 ' HA2' ' CE2' ' A' ' 31' ' ' PHE . . . -49.26 -51.54 25.82 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.354 -1.499 . . . . 0.47999999999999998 109.354 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 56' ' ' ALA . . . -53.45 -39.77 64.71 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.159 -1.201 . . . . 0.56000000000000005 109.468 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -80.11 -29.24 38.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.289 -0.882 . . . . 1.5600000000000001 109.498 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 58' ' ' LEU . 44.3 t -75.64 -47.38 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.284 -0.885 . . . . 0.28999999999999998 109.576 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.615 HD11 HG11 ' A' ' 26' ' ' VAL . 1.1 mm? -49.34 -47.91 46.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.208 -0.932 . . . . 1.54 109.656 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HA ' ' ND2' ' A' ' 22' ' ' ASN . . . -48.61 -47.8 39.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.17 -0.956 . . . . 0.28999999999999998 109.671 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -51.09 -56.16 14.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.17 -0.956 . . . . 1.73 109.348 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.941 ' O ' HG23 ' A' ' 70' ' ' VAL . 57.1 mt -52.99 -37.82 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -0.939 . . . . 0.68999999999999995 108.987 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.57 ' HA3' ' CH2' ' A' ' 14' ' ' TRP . . . -58.87 -53.25 47.91 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.826 -1.71 . . . . 0.28999999999999998 108.826 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.09 -24.29 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -1.106 . . . . 0.39000000000000001 109.237 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.418 ' HB1' HG12 ' A' ' 137' ' ' ILE . . . -85.81 -21.63 28.03 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.349 -0.844 . . . . 0.35999999999999999 109.462 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.083 HG13 HG12 ' A' ' 10' ' ' VAL . 47.4 t -70.12 -19.35 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.268 -0.895 . . . . 0.40000000000000002 109.558 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 58.8 m -89.91 31.04 0.99 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.159 -0.963 . . . . 1.47 110.09 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 74' ' ' GLY . 7.5 m-70 -159.53 -43.27 0.05 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.992 -1.067 . . . . 1.6899999999999999 110.175 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.713 HD21 ' HA ' ' A' ' 70' ' ' VAL . 4.5 mm? 42.87 -88.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.806 -0.559 . . . . 1.1299999999999999 110.703 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 72' ' ' HIS . . . -75.65 -28.25 61.59 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.219 -1.552 . . . . 1.1200000000000001 109.219 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 72' ' ' HIS . 9.8 t70 -64.67 89.82 0.07 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.244 -1.15 . . . . 2.1499999999999999 109.603 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.453 ' HA ' HG23 ' A' ' 80' ' ' VAL . 32.2 mt-10 -95.42 24.18 5.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.917 . . . . 4.0899999999999999 109.628 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.35 -37.93 26.64 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.151 -1.58 . . . . 1.97 109.151 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 13.7 ttpp -128.78 -37.31 1.76 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.293 -1.122 . . . . 2.77 109.705 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.472 ' HB2' ' CB ' ' A' ' 72' ' ' HIS . 65.0 ttp -48.07 -49.27 32.17 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.126 -0.984 . . . . 1.1399999999999999 109.666 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 49.0 t -70.05 -21.85 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.281 -0.887 . . . . 0.77000000000000002 109.457 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 78' ' ' LYS . . . -59.53 -43.99 93.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.202 -0.936 . . . . 0.83999999999999997 109.517 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' O ' HG23 ' A' ' 86' ' ' VAL . 39.6 mt-10 -84.01 -45.42 13.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 2.3700000000000001 109.559 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.542 ' HE2' ' HB2' ' A' ' 141' ' ' LEU . 1.4 mtp -59.68 -49.05 79.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.208 -0.933 . . . . 0.98999999999999999 109.422 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 8.7 tmtt? -54.17 -35.81 62.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.201 -0.937 . . . . 2.0 109.177 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 89' ' ' ARG . . . -64.99 -41.05 95.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.351 -0.843 . . . . 0.69999999999999996 109.305 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.622 ' CG1' HD11 ' A' ' 141' ' ' LEU . 25.5 t -52.61 -50.73 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -0.891 . . . . 0.51000000000000001 109.373 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.433 ' HA2' HD13 ' A' ' 145' ' ' LEU . . . -52.65 -52.15 39.82 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.845 -1.702 . . . . 0.51000000000000001 108.845 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.794 HG23 ' HA3' ' A' ' 144' ' ' GLY . 84.9 t -51.67 -27.98 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -1.126 . . . . 0.82999999999999996 109.288 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 93' ' ' TYR . 6.4 mmm180 -82.2 -43.79 17.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.84 . . . . 2.25 109.184 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.588 ' HB2' HD13 ' A' ' 145' ' ' LEU . 18.4 m80 -57.28 -46.2 83.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.38 -0.825 . . . . 0.69999999999999996 109.424 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -56.46 -19.13 13.78 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.163 -0.961 . . . . 1.6599999999999999 109.852 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.45 ' N ' ' HG3' ' A' ' 91' ' ' LYS . . . -111.75 37.77 3.55 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.001 -1.64 . . . . 0.96999999999999997 109.001 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 90' ' ' HIS . 4.2 m-30 -88.61 -164.78 1.18 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.328 -1.101 . . . . 1.8 109.989 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.18 -45.86 4.61 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.688 -1.365 . . . . 0.68999999999999995 109.688 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.639 ' OD1' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -59.08 -30.83 68.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.094 -1.239 . . . . 1.8300000000000001 109.301 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' N ' ' ND2' ' A' ' 95' ' ' ASN . 0.1 OUTLIER 63.12 31.71 15.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.38 -0.825 . . . . 2.9700000000000002 109.91 179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.434 ' O ' ' HB ' ' A' ' 98' ' ' ILE . 1.2 m-70 -128.39 -93.89 0.44 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.262 -0.898 . . . . 1.5800000000000001 108.95 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' A' ' 90' ' ' HIS . 9.4 mt 61.48 134.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 CA-C-O 122.311 1.053 . . . . 0.53000000000000003 110.349 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -146.46 144.15 29.47 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.156 0.979 . . . . 1.72 110.873 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.459 ' HB1' HD13 ' A' ' 142' ' ' ILE . . . -71.54 -22.42 61.76 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 108.098 -1.075 . . . . 0.48999999999999999 108.098 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 5.1 mm-40 -62.84 -30.58 71.6 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 108.15 -1.056 . . . . 2.6299999999999999 108.15 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CD2' ' HB2' ' A' ' 99' ' ' LYS . 19.0 m-85 -80.49 -24.98 39.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.559 -0.713 . . . . 1.26 109.731 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.889 ' CD2' HMC1 ' A' ' 148' ' ' HEM . 3.7 m-85 -60.03 -57.26 13.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.173 -0.955 . . . . 0.91000000000000003 110.022 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -44.64 -58.06 5.83 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.422 -0.799 . . . . 1.8600000000000001 110.67 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' GLU . 3.3 Cg_endo -54.89 -51.83 9.42 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.718 1.378 . . . . 0.39000000000000001 109.889 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.945 HD13 ' O ' ' A' ' 106' ' ' LEU . 3.4 tm? -60.03 -23.99 64.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 0.40000000000000002 109.242 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.75 -52.75 3.58 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.094 -1.602 . . . . 0.40000000000000002 109.094 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.41 -49.63 77.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.214 -1.168 . . . . 0.52000000000000002 109.43 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 t -58.35 -25.95 62.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 1.1000000000000001 109.439 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.776 HD22 ' OH ' ' A' ' 134' ' ' TYR . 3.9 tt -65.36 -43.26 91.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.296 -0.878 . . . . 0.64000000000000001 109.576 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' A' ' 130' ' ' TRP . 12.8 mt -54.68 -43.21 72.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.21 -0.932 . . . . 0.42999999999999999 109.357 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.6 -29.1 58.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 1.0900000000000001 109.417 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.861 ' HB1' ' OE2' ' A' ' 29' ' ' GLU . . . -83.56 -39.44 20.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.291 -0.881 . . . . 0.44 109.777 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.544 ' CE ' ' CZ3' ' A' ' 130' ' ' TRP . 4.2 mmt -48.45 -45.41 36.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.194 -0.941 . . . . 1.25 109.881 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -26.97 4.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.266 -0.897 . . . . 1.97 109.864 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 113' ' ' ALA . 29.2 m170 -53.94 -46.84 71.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.165 -0.959 . . . . 0.65000000000000002 110.111 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.423 ' CD ' ' HA ' ' A' ' 17' ' ' ILE . 9.2 ttt85 -79.74 -67.95 0.71 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.981 . . . . 1.5700000000000001 110.174 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.533 HG12 HD11 ' A' ' 17' ' ' ILE . 4.2 pt -91.97 53.38 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.182 -0.949 . . . . 1.0600000000000001 109.906 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.14 -26.77 70.65 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.541 -1.424 . . . . 1.6200000000000001 109.541 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -89.0 -17.12 56.84 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.487 -1.445 . . . . 0.69999999999999996 109.487 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.447 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 31.0 mttt -106.56 -20.19 13.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.084 -1.245 . . . . 2.0299999999999998 109.777 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.481 ' SD ' HD11 ' A' ' 118' ' ' ILE . 7.7 tpt -64.09 94.09 0.1 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.214 -0.928 . . . . 0.5 109.415 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 125' ' ' ALA . 9.1 p-10 -100.67 -176.97 3.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.264 -0.898 . . . . 1.3400000000000001 109.803 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.19 90.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.392 -0.818 . . . . 0.47999999999999998 110.386 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.839 ' O ' HG11 ' A' ' 9' ' ' VAL . . . -66.19 -13.57 60.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.38 110.065 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.451 ' HB1' HG21 ' A' ' 13' ' ' THR . . . -89.66 -43.04 11.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.085 -1.009 . . . . 0.28000000000000003 110.048 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -77.72 -26.68 50.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.094 -1.004 . . . . 1.01 109.966 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' A' ' 125' ' ' ALA . 3.3 p-10 -81.22 -32.99 33.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.065 -1.022 . . . . 1.3100000000000001 109.727 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.477 ' N ' ' OD1' ' A' ' 128' ' ' ASP . . . -71.82 -42.3 67.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 0.40999999999999998 109.506 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.887 ' CH2' HD12 ' A' ' 17' ' ' ILE . 3.0 m0 -74.24 -29.52 61.73 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.353 -0.842 . . . . 0.45000000000000001 109.224 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.445 ' N ' HD11 ' A' ' 111' ' ' LEU . . . -68.84 -37.49 79.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.54000000000000004 109.059 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.22 -30.56 27.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.293 -0.879 . . . . 0.56999999999999995 109.249 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.647 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -75.78 -39.57 56.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.427 -0.796 . . . . 0.48999999999999999 109.478 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.776 ' OH ' HD22 ' A' ' 110' ' ' LEU . 2.9 m-85 -54.62 -27.71 41.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 4.0800000000000001 109.331 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.91 -32.85 69.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.254 -0.904 . . . . 0.71999999999999997 109.471 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.56 -38.74 29.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 1.52 109.43 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.881 HD13 HG23 ' A' ' 66' ' ' ILE . 62.1 mt -66.31 -58.18 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.331 -0.855 . . . . 0.69999999999999996 109.259 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.404 ' O ' HG13 ' A' ' 142' ' ' ILE . 0.7 OUTLIER -68.31 -29.76 68.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.383 -0.823 . . . . 1.3400000000000001 109.59 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -68.91 -45.08 65.13 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.191 -1.564 . . . . 0.47999999999999998 109.191 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.82 -27.34 63.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -1.158 . . . . 0.52000000000000002 109.641 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.838 HD22 ' CE2' ' A' ' 103' ' ' PHE . 10.4 tt -73.63 -18.26 61.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.48999999999999999 109.717 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.516 HG23 ' OE1' ' A' ' 146' ' ' GLN . 47.7 mt -77.99 0.7 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.193 -0.942 . . . . 1.3300000000000001 110.079 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.9 m -71.73 -54.48 10.13 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.959 -1.088 . . . . 1.0800000000000001 109.407 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.794 ' HA3' HG23 ' A' ' 88' ' ' VAL . . . -93.55 8.91 74.43 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.468 -1.453 . . . . 0.80000000000000004 109.468 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.588 HD13 ' HB2' ' A' ' 90' ' ' HIS . 26.2 tp -88.48 170.33 10.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.025 -1.28 . . . . 1.6000000000000001 109.538 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.564 ' OE1' HD23 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 57.14 81.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.905 . . . . 1.98 109.655 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.401 ' OG ' ' HD3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.002 -0.999 . . . . 3.23 109.651 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' HEM . . . . . 0.889 HMC1 ' CD2' ' A' ' 103' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' CMO . . . . . 0.48 ' O ' HG21 ' A' ' 62' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.208 -1.557 . . . . 2.42 109.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 133' ' ' ALA . 4.2 mm? -71.6 142.99 49.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.181 -1.188 . . . . 1.57 109.602 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.82 172.19 6.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.283 -0.886 . . . . 1.4 109.659 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.0 71.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.285 -0.884 . . . . 1.02 109.633 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.93 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -81.65 -49.54 10.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.943 . . . . 0.8 109.628 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.975 ' O ' HG23 ' A' ' 10' ' ' VAL . 39.1 mt-30 -54.63 -51.09 66.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.148 -0.97 . . . . 1.58 109.352 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -50.35 -36.91 34.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 1.82 109.289 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -79.34 -43.44 23.53 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.337 -0.852 . . . . 1.71 109.349 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 5' ' ' ALA . 18.9 t -60.97 -19.1 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 0.38 109.36 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.083 HG12 HG13 ' A' ' 70' ' ' VAL . 66.7 t -75.38 -50.59 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 0.39 109.48 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.5 -14.71 63.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 0.44 109.801 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.41 -25.67 26.86 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.173 -0.954 . . . . 1.22 109.832 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.451 HG21 ' HB1' ' A' ' 126' ' ' ALA . 24.3 p -97.57 -15.31 20.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.243 -0.911 . . . . 0.26 109.942 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.728 ' CD1' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -88.73 -20.07 25.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.082 -1.011 . . . . 0.27 109.579 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -81.41 4.06 22.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.205 -0.934 . . . . 1.43 109.83 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -120.67 -50.29 2.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.077 -1.014 . . . . 1.54 109.795 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.887 HD12 ' CH2' ' A' ' 130' ' ' TRP . 38.6 mt -65.61 -49.24 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.29 109.336 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.81 ' HB1' ' HA ' ' A' ' 22' ' ' ASN . . . -72.66 -51.91 17.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.345 -0.847 . . . . 0.29 109.434 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 46.38 -98.78 0.01 OUTLIER Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.469 -1.452 . . . . 0.44 109.469 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' ALA . 85.7 p -109.31 -33.47 6.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.334 -1.097 . . . . 0.85 109.219 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.513 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 4.8 p-10 -70.21 -15.9 62.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.342 -0.849 . . . . 1.19 109.757 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.81 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 32.5 t30 62.79 18.9 11.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.177 -0.952 . . . . 1.11 109.75 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' HA ' ' A' ' 18' ' ' ALA . . . 98.19 28.36 8.19 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.308 -1.517 . . . . 0.53 109.308 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . . . -57.9 -44.94 87.09 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.241 -1.152 . . . . 0.43 109.515 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' HA2' ' HG2' ' A' ' 28' ' ' LYS . . . -89.14 15.42 58.19 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.465 -1.454 . . . . 0.74 109.465 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG11 HD11 ' A' ' 63' ' ' LEU . 48.2 t -105.92 -32.64 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.146 -1.208 . . . . 0.42 109.332 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.443 ' HA3' ' CA ' ' A' ' 59' ' ' GLY . . . -89.35 -39.21 6.42 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.244 -1.542 . . . . 0.45 109.244 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 17.0 ptpt -63.9 -30.04 71.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.103 -1.234 . . . . 0.77 109.613 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.861 ' OE2' ' HB1' ' A' ' 113' ' ' ALA . 21.2 pt-20 -94.1 -18.64 21.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.949 . . . . 1.63 109.629 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 26' ' ' VAL . 33.7 t -84.74 -61.76 1.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.306 -0.871 . . . . 0.4 109.723 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 23.2 m-85 -57.35 -33.09 67.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.189 -0.945 . . . . 1.33 109.724 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.746 HG23 HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -51.27 -60.19 3.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.161 -0.962 . . . . 1.06 109.44 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HA ' ' OG ' ' A' ' 36' ' ' SER . 12.4 mtpt -58.25 -39.15 78.4 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -0.871 . . . . 1.83 109.495 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.625 ' CG ' HD23 ' A' ' 106' ' ' LEU . 8.5 t80 -60.18 -56.96 15.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.919 . . . . 1.36 109.455 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.733 ' CD1' HG22 ' A' ' 55' ' ' VAL . 12.3 mt -51.93 -43.9 63.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.4 109.618 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.586 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -64.07 -70.97 0.19 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.319 -0.863 . . . . 1.23 109.641 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.594 ' HB3' ' HD2' ' A' ' 38' ' ' HIS . . . -50.02 -25.11 3.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.51 109.615 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.594 ' HD2' ' HB3' ' A' ' 37' ' ' ALA . 13.2 m-70 -117.25 93.85 4.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.293 -0.88 . . . . 0.51 109.641 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -80.08 -19.7 46.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.853 . . . . 0.96 109.519 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -71.4 -18.47 62.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.227 -0.921 . . . . 1.14 109.484 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.493 ' CE ' HMB1 ' A' ' 148' ' ' HEM . 87.1 mmm -106.46 -25.11 12.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.244 -0.91 . . . . 1.37 109.718 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . . . -48.01 -37.89 15.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.143 -0.973 . . . . 0.42 109.733 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.46 -22.79 47.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.921 . . . . 0.45 109.376 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.787 HG13 ' ND2' ' A' ' 95' ' ' ASN . 37.9 t -73.02 -34.71 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 0.37 109.48 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.541 ' CE1' HMB2 ' A' ' 148' ' ' HEM . 13.2 m-85 -76.17 -42.2 47.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 1.26 109.742 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.25 34.84 1.07 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.206 -1.558 . . . . 0.82 109.206 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 45' ' ' PHE . 13.6 m-85 -125.93 168.87 13.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -1.13 . . . . 1.23 109.695 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 t -107.28 20.76 18.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.288 -0.882 . . . . 0.9 109.394 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.37 -165.78 28.22 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.099 -1.601 . . . . 0.67 109.099 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 36' ' ' SER . . . -92.74 23.93 3.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -1.162 . . . . 0.74 109.612 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 t -121.57 19.78 11.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.218 -0.926 . . . . 1.5 109.68 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.42 136.46 19.38 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 2.17 109.593 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -65.78 -19.87 58.99 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 123.922 1.485 . . . . 0.92 110.006 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 47' ' ' PHE . . . -54.91 -37.17 61.69 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.24 -1.544 . . . . 0.39 109.24 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 32' ' ' THR . 84.8 t -51.06 -55.42 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -1.14 . . . . 0.31 109.408 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 60' ' ' ALA . . . -54.91 -21.83 12.87 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.26 -0.9 . . . . 0.46 109.21 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.0 -34.85 59.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.352 -0.842 . . . . 1.66 109.437 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.935 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.7 mt -84.19 -59.46 2.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -0.925 . . . . 0.41 109.447 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.517 ' HA2' ' CE2' ' A' ' 31' ' ' PHE . . . -49.26 -51.54 25.82 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.354 -1.499 . . . . 0.48 109.354 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 56' ' ' ALA . . . -53.45 -39.77 64.71 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.159 -1.201 . . . . 0.56 109.468 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -80.11 -29.24 38.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.289 -0.882 . . . . 1.56 109.498 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 58' ' ' LEU . 44.3 t -75.64 -47.38 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.284 -0.885 . . . . 0.29 109.576 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.615 HD11 HG11 ' A' ' 26' ' ' VAL . 1.1 mm? -49.34 -47.91 46.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.208 -0.932 . . . . 1.54 109.656 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HA ' ' ND2' ' A' ' 22' ' ' ASN . . . -48.61 -47.8 39.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.17 -0.956 . . . . 0.29 109.671 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -51.09 -56.16 14.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.17 -0.956 . . . . 1.73 109.348 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.941 ' O ' HG23 ' A' ' 70' ' ' VAL . 57.1 mt -52.99 -37.82 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -0.939 . . . . 0.69 108.987 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.57 ' HA3' ' CH2' ' A' ' 14' ' ' TRP . . . -58.87 -53.25 47.91 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.826 -1.71 . . . . 0.29 108.826 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.09 -24.29 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -1.106 . . . . 0.39 109.237 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.418 ' HB1' HG12 ' A' ' 137' ' ' ILE . . . -85.81 -21.63 28.03 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.349 -0.844 . . . . 0.36 109.462 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.083 HG13 HG12 ' A' ' 10' ' ' VAL . 47.4 t -70.12 -19.35 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.268 -0.895 . . . . 0.4 109.558 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 58.8 m -89.91 31.04 0.99 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.159 -0.963 . . . . 1.47 110.09 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 74' ' ' GLY . 7.5 m-70 -159.53 -43.27 0.05 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.992 -1.067 . . . . 1.69 110.175 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.713 HD21 ' HA ' ' A' ' 70' ' ' VAL . 4.5 mm? 42.87 -88.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.806 -0.559 . . . . 1.13 110.703 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 72' ' ' HIS . . . -75.65 -28.25 61.59 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.219 -1.552 . . . . 1.12 109.219 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 72' ' ' HIS . 9.8 t70 -64.67 89.82 0.07 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.244 -1.15 . . . . 2.15 109.603 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.453 ' HA ' HG23 ' A' ' 80' ' ' VAL . 32.2 mt-10 -95.42 24.18 5.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.917 . . . . 4.09 109.628 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.35 -37.93 26.64 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.151 -1.58 . . . . 1.97 109.151 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 13.7 ttpp -128.78 -37.31 1.76 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.293 -1.122 . . . . 2.77 109.705 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.472 ' HB2' ' CB ' ' A' ' 72' ' ' HIS . 65.0 ttp -48.07 -49.27 32.17 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.126 -0.984 . . . . 1.14 109.666 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 49.0 t -70.05 -21.85 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.281 -0.887 . . . . 0.77 109.457 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 78' ' ' LYS . . . -59.53 -43.99 93.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.202 -0.936 . . . . 0.84 109.517 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' O ' HG23 ' A' ' 86' ' ' VAL . 39.6 mt-10 -84.01 -45.42 13.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 2.37 109.559 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.542 ' HE2' ' HB2' ' A' ' 141' ' ' LEU . 1.4 mtp -59.68 -49.05 79.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.208 -0.933 . . . . 0.99 109.422 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 8.7 tmtt? -54.17 -35.81 62.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.201 -0.937 . . . . 2.0 109.177 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 89' ' ' ARG . . . -64.99 -41.05 95.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.351 -0.843 . . . . 0.7 109.305 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.622 ' CG1' HD11 ' A' ' 141' ' ' LEU . 25.5 t -52.61 -50.73 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -0.891 . . . . 0.51 109.373 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.433 ' HA2' HD13 ' A' ' 145' ' ' LEU . . . -52.65 -52.15 39.82 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.845 -1.702 . . . . 0.51 108.845 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.794 HG23 ' HA3' ' A' ' 144' ' ' GLY . 84.9 t -51.67 -27.98 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -1.126 . . . . 0.83 109.288 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 93' ' ' TYR . 6.4 mmm180 -82.2 -43.79 17.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.84 . . . . 2.25 109.184 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.588 ' HB2' HD13 ' A' ' 145' ' ' LEU . 18.4 m80 -57.28 -46.2 83.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.38 -0.825 . . . . 0.7 109.424 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -56.46 -19.13 13.78 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.163 -0.961 . . . . 1.66 109.852 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.45 ' N ' ' HG3' ' A' ' 91' ' ' LYS . . . -111.75 37.77 3.55 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.001 -1.64 . . . . 0.97 109.001 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 90' ' ' HIS . 4.2 m-30 -88.61 -164.78 1.18 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.328 -1.101 . . . . 1.8 109.989 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.18 -45.86 4.61 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.688 -1.365 . . . . 0.69 109.688 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.787 ' ND2' HG13 ' A' ' 44' ' ' VAL . 9.0 p-10 -59.08 -30.83 68.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.094 -1.239 . . . . 1.83 109.301 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.12 31.71 15.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.38 -0.825 . . . . 2.97 109.91 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.482 ' HB2' ' ND2' ' A' ' 95' ' ' ASN . 8.6 m170 -128.39 -93.89 0.44 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.262 -0.898 . . . . 1.58 108.95 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' A' ' 90' ' ' HIS . 9.4 mt 61.48 134.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 CA-C-O 122.311 1.053 . . . . 0.53 110.349 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -146.46 144.15 29.47 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.156 0.979 . . . . 1.72 110.873 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.459 ' HB1' HD13 ' A' ' 142' ' ' ILE . . . -71.54 -22.42 61.76 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 108.098 -1.075 . . . . 0.49 108.098 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 5.1 mm-40 -62.84 -30.58 71.6 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 108.15 -1.056 . . . . 2.63 108.15 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CD2' ' HB2' ' A' ' 99' ' ' LYS . 19.0 m-85 -80.49 -24.98 39.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.559 -0.713 . . . . 1.26 109.731 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.889 ' CD2' HMC1 ' A' ' 148' ' ' HEM . 3.7 m-85 -60.03 -57.26 13.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.173 -0.955 . . . . 0.91 110.022 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -44.64 -58.06 5.83 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.422 -0.799 . . . . 1.86 110.67 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' GLU . 3.3 Cg_endo -54.89 -51.83 9.42 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.718 1.378 . . . . 0.39 109.889 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.945 HD13 ' O ' ' A' ' 106' ' ' LEU . 3.4 tm? -60.03 -23.99 64.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 0.4 109.242 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.75 -52.75 3.58 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.094 -1.602 . . . . 0.4 109.094 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.41 -49.63 77.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.214 -1.168 . . . . 0.52 109.43 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 t -58.35 -25.95 62.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 1.1 109.439 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.776 HD22 ' OH ' ' A' ' 134' ' ' TYR . 3.9 tt -65.36 -43.26 91.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.296 -0.878 . . . . 0.64 109.576 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.823 HD21 ' HB3' ' A' ' 130' ' ' TRP . 12.8 mt -54.68 -43.21 72.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.21 -0.932 . . . . 0.43 109.357 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.6 -29.1 58.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 1.09 109.417 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.861 ' HB1' ' OE2' ' A' ' 29' ' ' GLU . . . -83.56 -39.44 20.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.291 -0.881 . . . . 0.44 109.777 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.544 ' CE ' ' CZ3' ' A' ' 130' ' ' TRP . 4.2 mmt -48.45 -45.41 36.43 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.194 -0.941 . . . . 1.25 109.881 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -26.97 4.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.266 -0.897 . . . . 1.97 109.864 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 113' ' ' ALA . 29.2 m170 -53.94 -46.84 71.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.165 -0.959 . . . . 0.65 110.111 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.423 ' CD ' ' HA ' ' A' ' 17' ' ' ILE . 9.2 ttt85 -79.74 -67.95 0.71 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.981 . . . . 1.57 110.174 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.533 HG12 HD11 ' A' ' 17' ' ' ILE . 4.2 pt -91.97 53.38 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.182 -0.949 . . . . 1.06 109.906 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.14 -26.77 70.65 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.541 -1.424 . . . . 1.62 109.541 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -89.0 -17.12 56.84 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.487 -1.445 . . . . 0.7 109.487 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.447 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 31.0 mttt -106.56 -20.19 13.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.084 -1.245 . . . . 2.03 109.777 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.481 ' SD ' HD11 ' A' ' 118' ' ' ILE . 7.7 tpt -64.09 94.09 0.1 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.214 -0.928 . . . . 0.5 109.415 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 125' ' ' ALA . 9.1 p-10 -100.67 -176.97 3.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.264 -0.898 . . . . 1.34 109.803 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.19 90.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.392 -0.818 . . . . 0.48 110.386 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.839 ' O ' HG11 ' A' ' 9' ' ' VAL . . . -66.19 -13.57 60.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.38 110.065 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.451 ' HB1' HG21 ' A' ' 13' ' ' THR . . . -89.66 -43.04 11.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.085 -1.009 . . . . 0.28 110.048 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -77.72 -26.68 50.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.094 -1.004 . . . . 1.01 109.966 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' A' ' 125' ' ' ALA . 3.3 p-10 -81.22 -32.99 33.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.065 -1.022 . . . . 1.31 109.727 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.477 ' N ' ' OD1' ' A' ' 128' ' ' ASP . . . -71.82 -42.3 67.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 0.41 109.506 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.887 ' CH2' HD12 ' A' ' 17' ' ' ILE . 3.0 m0 -74.24 -29.52 61.73 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.353 -0.842 . . . . 0.45 109.224 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.445 ' N ' HD11 ' A' ' 111' ' ' LEU . . . -68.84 -37.49 79.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.54 109.059 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.22 -30.56 27.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.293 -0.879 . . . . 0.57 109.249 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.647 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -75.78 -39.57 56.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.427 -0.796 . . . . 0.49 109.478 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.776 ' OH ' HD22 ' A' ' 110' ' ' LEU . 2.9 m-85 -54.62 -27.71 41.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 4.08 109.331 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.91 -32.85 69.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.254 -0.904 . . . . 0.72 109.471 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.56 -38.74 29.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 1.52 109.43 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.881 HD13 HG23 ' A' ' 66' ' ' ILE . 62.1 mt -66.31 -58.18 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.331 -0.855 . . . . 0.7 109.259 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.404 ' O ' HG13 ' A' ' 142' ' ' ILE . 0.7 OUTLIER -68.31 -29.76 68.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.383 -0.823 . . . . 1.34 109.59 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -68.91 -45.08 65.13 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.191 -1.564 . . . . 0.48 109.191 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.82 -27.34 63.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -1.158 . . . . 0.52 109.641 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.838 HD22 ' CE2' ' A' ' 103' ' ' PHE . 10.4 tt -73.63 -18.26 61.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.49 109.717 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.778 HG23 HE22 ' A' ' 146' ' ' GLN . 47.7 mt -77.99 0.7 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.193 -0.942 . . . . 1.33 110.079 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.9 m -71.73 -54.48 10.13 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.959 -1.088 . . . . 1.08 109.407 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.794 ' HA3' HG23 ' A' ' 88' ' ' VAL . . . -93.55 8.91 74.43 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.468 -1.453 . . . . 0.8 109.468 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.711 HD23 ' NE2' ' A' ' 146' ' ' GLN . 26.2 tp -88.48 170.33 10.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.025 -1.28 . . . . 1.6 109.538 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.778 HE22 HG23 ' A' ' 142' ' ' ILE . 9.3 mp0 57.14 81.33 0.14 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.905 . . . . 1.98 109.655 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.401 ' OG ' ' HD3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.002 -0.999 . . . . 3.23 109.651 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' HEM . . . . . 0.889 HMC1 ' CD2' ' A' ' 103' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' CMO . . . . . 0.48 ' O ' HG21 ' A' ' 62' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_