data_3pat_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 3pat _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 1 C--O 0.892 -17.762 . . . . . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 0.353 . . -175.74 17.23 0.01 OUTLIER 'General case' 2 C--N 0.705 -27.445 1 O-C-N 106.032 -10.418 . . . . 1.62 114.738 . . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.3 14.78 27.0 Favored 'General case' 0 C--N 1.273 -2.732 0 O-C-N 120.868 -1.145 . . . . 0.9 109.349 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 1.359 ' CB ' ' CD ' ' A' ' 3' ' ' LYS . 3.6 tttt -80.9 -28.82 35.75 Favored 'General case' 0 C--N 1.254 -3.583 0 CA-C-O 122.402 1.096 . . . . 3.14 109.799 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.02 -14.01 56.55 Favored 'General case' 0 C--N 1.246 -3.9 0 O-C-N 119.764 -1.835 . . . . 2.77 112.338 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.11 -11.53 32.69 Favored 'General case' 1 C--O 1.008 -11.64 0 C-N-CA 117.814 -1.555 . . . . 1.55 109.119 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 1.425 ' CD1' ' CB ' ' A' ' 6' ' ' LEU 0.426 3.8 mt -133.36 179.88 5.93 Favored 'General case' 3 C--O 0.82 -21.525 2 CA-C-O 98.486 -10.292 . . . . 2.35 117.486 -179.691 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 1.152 0.5 OUTLIER -72.56 -40.16 66.88 Favored 'General case' 4 N--CA 1.116 -17.161 5 N-CA-C 159.769 18.063 . . . . 6.37 159.769 -179.916 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.255 . . 119.53 -79.75 0.0 OUTLIER 'General case' 2 C--N 0.528 -35.115 3 O-C-N 102.053 -12.905 . . . . 1.16 112.614 179.592 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -64.43 -25.18 67.9 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 122.199 1.0 . . . . 1.57 110.175 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.59 -31.16 69.15 Favored 'General case' 0 C--N 1.255 -3.506 0 O-C-N 120.555 -1.34 . . . . 1.26 109.527 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -80.85 -26.34 10.98 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.027 0 O-C-N 120.11 -1.619 . . . . 0.88 109.2 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -78.45 -19.31 53.43 Favored 'General case' 0 C--N 1.282 -2.34 0 O-C-N 120.857 -1.152 . . . . 2.51 110.107 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 1.459 ' NZ ' ' CD ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -88.48 -43.2 11.62 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.128 -0.983 . . . . 2.03 108.743 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.7 77.67 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.093 -1.004 . . . . 0.49 110.293 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 1.285 ' CD1' ' CB ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -67.21 -38.29 85.06 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 120.987 -1.07 . . . . 1.45 109.212 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -68.26 -20.07 64.77 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.909 -1.119 . . . . 1.0 109.42 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.52 -21.98 23.85 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 121.43 -0.794 . . . . 0.69 109.473 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -121.79 4.45 6.05 Favored 'Isoleucine or valine' 1 C--O 1.124 -5.504 0 O-C-N 120.722 -1.237 . . . . 0.91 112.205 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 1.482 ' CE ' ' CG ' ' A' ' 19' ' ' LYS . 1.8 tttt -51.8 -25.0 6.77 Favored 'General case' 0 C--N 1.256 -3.477 0 O-C-N 117.707 -3.121 . . . . 2.59 111.611 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.22 175.35 0.07 Allowed 'General case' 0 C--N 1.288 -2.103 0 O-C-N 120.716 -1.24 . . . . 0.62 109.951 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -98.6 69.8 1.9 Allowed 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 122.455 1.121 . . . . 2.73 109.899 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.28 12.82 1.79 Allowed Glycine 0 C--N 1.281 -2.518 0 N-CA-C 109.099 -1.6 . . . . 0.65 109.099 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.7 p -98.75 13.79 31.03 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.409 -1.054 . . . . 0.55 110.649 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 35.6 t80 -87.34 142.39 27.92 Favored 'General case' 0 C--O 1.182 -2.476 0 O-C-N 120.407 -1.433 . . . . 0.89 110.399 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 1.285 ' O ' ' CA ' ' A' ' 26' ' ' HIS . 2.1 m-20 -130.83 -97.38 0.34 Allowed 'General case' 1 C--O 0.463 -40.298 1 CA-C-O 172.084 24.754 . . . . 2.1 107.375 178.751 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 1.285 ' CA ' ' O ' ' A' ' 25' ' ' ASN . 14.8 p-80 -165.93 -32.75 0.03 OUTLIER 'General case' 1 C--N 0.766 -24.785 3 O-C-N 12.238 -69.039 . . . . 0.62 109.479 151.753 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 1.357 ' CE ' ' CG ' ' A' ' 27' ' ' LYS . 9.0 mtpp -82.5 -49.78 9.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.285 -0.884 . . . . 1.95 110.336 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -38.28 77.63 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.938 -1.101 . . . . 3.2 109.935 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.342 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 68.5 t80 -62.7 -64.84 0.8 Allowed 'General case' 0 C--N 1.288 -2.106 0 O-C-N 120.518 -1.364 . . . . 1.28 109.932 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.351 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 10.7 m-85 -60.66 -33.79 73.34 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.367 -0.833 . . . . 1.25 110.265 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.13 83.47 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.073 -1.017 . . . . 0.69 109.734 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.09 -47.73 23.43 Favored 'General case' 0 C--O 1.17 -3.096 0 O-C-N 120.779 -1.2 . . . . 1.13 110.027 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.26 ' CG1' ' CA ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -48.49 -52.43 8.61 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.716 0 O-C-N 119.396 -2.065 . . . . 1.45 110.146 -179.438 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.31 -8.3 7.06 Favored Glycine 1 C--O 1.11 -7.627 0 O-C-N 120.518 -1.364 . . . . 0.67 110.792 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -16.21 42.28 Favored 'General case' 1 C--O 1.15 -4.165 0 O-C-N 118.161 -2.964 . . . . 1.63 110.626 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -29.42 70.43 Favored 'General case' 1 C--O 1.125 -5.469 0 O-C-N 119.606 -1.934 . . . . 1.49 110.857 -179.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.81 36.72 3.29 Favored 'General case' 2 C--N 1.207 -5.605 0 O-C-N 117.532 -3.23 . . . . 1.47 114.613 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 1.24 ' SD ' ' CE ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -79.38 -100.1 0.03 OUTLIER 'General case' 1 C--O 0.513 -37.707 1 CA-C-O 142.871 10.843 . . . . 1.77 109.474 179.657 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' ASN . 18.3 p -159.5 117.66 2.77 Favored 'General case' 1 C--N 0.875 -20.053 3 O-C-N 60.003 -39.186 . . . . 0.83 110.092 179.632 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.52 -32.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.313 0.577 . . . . 0.65 111.47 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.6 t30 -72.45 -55.45 7.0 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 120.438 -1.414 . . . . 1.52 109.448 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -70.89 -3.08 17.3 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.308 -0.87 . . . . 1.19 109.395 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -90.56 -44.28 14.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 107.016 -1.475 . . . . 0.58 107.016 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.387 ' CB ' ' CD ' ' A' ' 44' ' ' LYS . 6.5 mttt -63.15 -23.43 67.43 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 106.569 -1.641 . . . . 1.99 106.569 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.439 ' CG ' ' CE ' ' A' ' 45' ' ' LYS . 2.6 tttt -79.01 -31.37 44.69 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.785 -1.191 . . . . 2.38 107.785 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.0 t -67.37 -43.57 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 107.92 -1.141 . . . . 0.44 107.92 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.9 t80 -62.61 -51.25 68.03 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.65 -0.87 . . . . 0.41 108.65 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -44.19 -29.5 0.64 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.908 -1.145 . . . . 1.91 107.908 179.318 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -81.79 -41.01 21.75 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.801 -0.815 . . . . 0.44 108.801 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' PHE . 40.5 mm -54.28 -32.08 23.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.235 -1.024 . . . . 0.44 108.235 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -72.77 72.37 1.06 Allowed 'General case' 0 C--O 1.166 -3.302 0 CA-C-O 123.132 1.444 . . . . 0.8 109.231 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.86 -19.84 19.73 Favored 'General case' 2 C--O 0.994 -12.364 0 N-CA-C 115.206 1.558 . . . . 1.4 115.206 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -107.57 -4.04 18.74 Favored 'General case' 2 C--O 0.917 -16.439 3 CA-C-O 135.571 7.367 . . . . 1.54 110.229 -179.849 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 76.83 48.9 0.06 Allowed 'General case' 1 C--N 0.901 -18.913 2 O-C-N 96.48 -16.387 . . . . 1.36 113.185 178.409 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.571 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 34.1 p -120.41 31.68 6.35 Favored 'General case' 1 C--N 1.236 -4.342 0 O-C-N 118.37 -2.706 . . . . 1.21 108.922 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 41.44 29.9 0.47 Allowed Glycine 0 N--CA 1.481 1.666 0 N-CA-C 109.793 -1.323 . . . . 0.54 109.793 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 32.8 m-85 -149.26 147.87 28.89 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.169 -1.195 . . . . 0.57 110.891 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.435 ' CG2' ' CG2' ' A' ' 50' ' ' ILE . 12.2 mm -96.03 106.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.093 -1.447 . . . . 0.55 107.093 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -88.88 163.25 15.71 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.826 -1.171 . . . . 1.79 110.553 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.76 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 57.5 mt-10 -50.88 -40.6 56.82 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.428 -0.795 . . . . 2.24 109.855 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 1.315 ' CG ' ' CA ' ' A' ' 61' ' ' GLU . 3.2 tt0 -62.13 -34.11 75.74 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.094 -1.004 . . . . 2.65 110.08 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 1.253 ' CG ' ' OE1' ' A' ' 62' ' ' GLU . 6.9 mp0 -70.7 -36.43 73.25 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.111 -1.07 . . . . 2.09 108.111 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 48.1 mt -57.62 -37.05 72.63 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 109.079 -0.712 . . . . 0.58 109.079 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -65.97 -44.35 85.2 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 120.7 -1.25 . . . . 1.87 109.62 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -98.83 18.29 17.41 Favored 'General case' 0 C--O 1.173 -2.958 0 O-C-N 121.005 -1.059 . . . . 1.66 109.592 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.1 p -50.95 -18.79 0.72 Allowed 'Isoleucine or valine' 1 C--O 1.1 -6.806 0 O-C-N 120.256 -1.527 . . . . 1.12 111.758 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.99 16.34 26.51 Favored 'General case' 1 C--O 1.097 -6.941 0 O-C-N 117.564 -3.21 . . . . 2.04 111.431 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -78.9 -32.35 45.75 Favored 'General case' 1 C--N 1.219 -5.08 0 O-C-N 116.817 -3.677 . . . . 3.73 109.287 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -69.54 -27.87 65.53 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.172 -0.955 . . . . 1.56 109.046 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -91.68 -19.16 22.95 Favored 'General case' 0 C--O 1.178 -2.691 0 N-CA-C 108.739 -0.837 . . . . 1.37 108.739 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -159.41 103.63 1.6 Allowed 'General case' 1 C--O 0.762 -24.603 0 CA-C-O 127.658 3.599 . . . . 1.48 110.246 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -33.91 -38.43 0.06 Allowed 'General case' 2 C--N 0.982 -15.376 3 O-C-N 94.911 -17.368 . . . . 1.55 109.111 -179.741 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 1.13 ' OD1' ' CB ' ' A' ' 73' ' ' ASP . 16.8 t0 -139.42 46.8 1.9 Allowed 'General case' 2 C--O 1.075 -8.108 0 CA-C-O 113.611 -3.09 . . . . 1.93 108.483 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.59 -94.04 0.17 Allowed Glycine 2 N--CA 1.286 -11.348 0 CA-C-O 124.866 2.37 . . . . 1.58 117.714 -178.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 1.41 ' NH2' ' NE ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -86.59 62.26 7.3 Favored 'General case' 2 C--O 0.45 -41.005 1 CA-C-O 159.971 18.986 . . . . 1.72 113.117 -178.854 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 1.445 ' OD1' ' CB ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -44.61 101.68 0.02 OUTLIER 'General case' 1 C--N 0.792 -23.64 3 O-C-N 31.28 -57.137 . . . . 1.58 108.503 176.159 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 1.357 ' CD1' ' CB ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -51.79 155.01 1.83 Allowed 'General case' 0 C--N 1.28 -2.455 0 O-C-N 120.585 -1.322 . . . . 1.41 110.96 -178.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.629 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -96.21 -10.85 27.07 Favored 'General case' 1 C--O 0.961 -14.111 0 CA-C-O 122.773 1.273 . . . . 1.42 110.65 -179.739 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.629 ' CB ' ' O ' ' A' ' 78' ' ' THR . 34.4 t0 113.79 -60.06 0.0 OUTLIER 'General case' 1 C--N 1.131 -8.923 3 O-C-N 110.994 -7.316 . . . . 1.76 105.846 -177.448 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.04 84.71 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.833 -1.173 . . . . 0.65 107.833 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 75' ' ' ARG . 71.1 mt-10 -62.82 -29.6 70.85 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 122.13 0.967 . . . . 0.98 109.28 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 m -80.42 -23.39 40.37 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 108.35 -0.982 . . . . 0.47 108.35 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -11.88 59.16 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.752 -1.203 . . . . 2.14 107.752 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.96 -49.82 6.55 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.337 -0.986 . . . . 0.38 108.337 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.03 -47.12 81.67 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.995 -0.743 . . . . 0.55 108.995 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.87 -42.92 97.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.444 -0.785 . . . . 0.48 110.497 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 1.439 ' CB ' ' CD ' ' A' ' 87' ' ' LYS . 19.8 tttt -79.61 -0.13 32.47 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.956 -1.09 . . . . 3.22 110.444 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.04 -15.3 11.16 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 120.797 -1.189 . . . . 0.72 108.946 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.34 -15.66 13.9 Favored 'General case' 1 C--O 1.141 -4.641 0 O-C-N 121.54 -0.725 . . . . 0.89 110.796 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -105.19 117.25 33.53 Favored 'General case' 1 C--O 0.89 -17.835 0 O-C-N 118.672 -2.517 . . . . 1.21 109.076 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 1.336 ' CE ' ' CG ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -108.39 -44.9 4.0 Favored 'General case' 1 C--N 1.07 -11.556 3 O-C-N 103.701 -11.875 . . . . 2.18 108.869 179.577 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -71.94 -10.61 60.01 Favored 'General case' 0 C--N 1.278 -2.504 0 O-C-N 121.166 -0.959 . . . . 1.08 110.146 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 65.66 43.43 94.35 Favored Glycine 0 C--N 1.277 -2.698 0 C-N-CA 119.87 -1.157 . . . . 1.02 112.048 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -99.69 -11.09 21.19 Favored 'General case' 1 C--O 1.132 -5.11 0 O-C-N 121.306 -1.114 . . . . 0.85 109.723 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.39 8.79 85.8 Favored Glycine 1 C--N 1.246 -4.463 0 O-C-N 118.2 -2.813 . . . . 0.66 110.807 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 1.31 ' NZ ' ' CD ' ' A' ' 96' ' ' LYS . 10.9 mtmt -142.45 130.55 21.99 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 120.233 -1.745 . . . . 2.06 110.06 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 1.265 ' CD1' ' CB ' ' A' ' 97' ' ' ILE . 3.7 mp -102.88 101.31 11.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 O-C-N 120.838 -1.164 . . . . 1.38 109.132 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.38 -165.78 6.98 Favored Glycine 0 N--CA 1.483 1.832 0 N-CA-C 108.655 -1.778 . . . . 0.33 108.655 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 9.1 mm -71.26 -72.97 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.137 -1.214 . . . . 0.36 110.131 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 1.235 ' CG ' ' CA ' ' A' ' 100' ' ' ASP . 65.1 m-20 -38.47 -37.22 0.29 Allowed 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.985 -1.072 . . . . 2.28 110.609 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -44.85 64.67 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.85 -1.156 . . . . 1.74 107.953 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 99' ' ' ILE . 51.2 t80 -69.1 -55.39 10.87 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.701 -0.624 . . . . 0.97 111.009 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -64.01 -14.21 52.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.718 -1.238 . . . . 2.78 110.232 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.7 m -85.82 -41.76 14.74 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.905 -1.122 . . . . 0.52 108.315 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -36.12 56.31 Favored 'General case' 0 C--O 1.159 -3.71 0 O-C-N 120.425 -1.422 . . . . 1.9 109.708 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.26 -38.31 79.34 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.352 0 O-C-N 119.042 -2.286 . . . . 0.61 109.37 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -74.13 -35.14 64.1 Favored 'General case' 0 C--O 1.18 -2.556 0 O-C-N 120.994 -1.066 . . . . 0.89 109.67 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.91 4.51 37.13 Favored 'General case' 1 C--O 1.065 -8.649 0 CA-C-O 124.283 1.992 . . . . 2.73 109.796 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 1.277 ' OXT' ' CA ' ' A' ' 109' ' ' ALA . . . . . . . . 3 C--O 0.556 -35.424 2 CA-C-O 175.257 26.265 . . . . 1.84 109.916 179.956 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.567 ' H1 ' ' HA ' ' A' ' 69' ' ' SER . . . . . . . . 1 C--O 0.892 -17.762 . . . . . . . . 3.05 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 0.353 . . -175.74 17.23 0.01 OUTLIER 'General case' 2 C--N 0.705 -27.445 1 O-C-N 106.032 -10.418 . . . . 1.62 114.738 . . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.3 14.78 27.0 Favored 'General case' 0 C--N 1.273 -2.732 0 O-C-N 120.868 -1.145 . . . . 0.9 109.349 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.359 ' CB ' ' CD ' ' A' ' 3' ' ' LYS . 3.6 tttt -80.9 -28.82 35.75 Favored 'General case' 0 C--N 1.254 -3.583 0 CA-C-O 122.402 1.096 . . . . 3.14 109.799 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.02 -14.01 56.55 Favored 'General case' 0 C--N 1.246 -3.9 0 O-C-N 119.764 -1.835 . . . . 2.77 112.338 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -93.11 -11.53 32.69 Favored 'General case' 1 C--O 1.008 -11.64 0 C-N-CA 117.814 -1.555 . . . . 1.55 109.119 -179.871 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.425 ' CD1' ' CB ' ' A' ' 6' ' ' LEU 0.426 3.8 mt -133.36 179.88 5.93 Favored 'General case' 3 C--O 0.82 -21.525 2 CA-C-O 98.486 -10.292 . . . . 2.35 117.486 -179.691 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 1.152 0.5 OUTLIER -72.56 -40.16 66.88 Favored 'General case' 4 N--CA 1.116 -17.161 5 N-CA-C 159.769 18.063 . . . . 6.37 159.769 -179.916 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.255 . . 119.53 -79.75 0.0 OUTLIER 'General case' 2 C--N 0.528 -35.115 3 O-C-N 102.053 -12.905 . . . . 1.16 112.614 179.592 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -64.43 -25.18 67.9 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 122.199 1.0 . . . . 1.57 110.175 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.599 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 3.8 m-20 -69.59 -31.16 69.15 Favored 'General case' 0 C--N 1.255 -3.506 0 O-C-N 120.555 -1.34 . . . . 1.26 109.527 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -80.85 -26.34 10.98 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.027 0 O-C-N 120.11 -1.619 . . . . 0.88 109.2 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 16.9 mttt -78.45 -19.31 53.43 Favored 'General case' 0 C--N 1.282 -2.34 0 O-C-N 120.857 -1.152 . . . . 2.51 110.107 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.459 ' NZ ' ' CD ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -88.48 -43.2 11.62 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.128 -0.983 . . . . 2.03 108.743 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -66.77 -45.7 77.67 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.093 -1.004 . . . . 0.49 110.293 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.285 ' CD1' ' CB ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -67.21 -38.29 85.06 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 120.987 -1.07 . . . . 1.45 109.212 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 15.2 m-20 -68.26 -20.07 64.77 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.909 -1.119 . . . . 1.0 109.42 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.52 -21.98 23.85 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 121.43 -0.794 . . . . 0.69 109.473 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 14' ' ' ALA . 35.7 m -121.79 4.45 6.05 Favored 'Isoleucine or valine' 1 C--O 1.124 -5.504 0 O-C-N 120.722 -1.237 . . . . 0.91 112.205 -179.025 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 1.482 ' CE ' ' CG ' ' A' ' 19' ' ' LYS . 1.8 tttt -51.8 -25.0 6.77 Favored 'General case' 0 C--N 1.256 -3.477 0 O-C-N 117.707 -3.121 . . . . 2.59 111.611 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.713 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -55.22 175.35 0.07 Allowed 'General case' 0 C--N 1.288 -2.103 0 O-C-N 120.716 -1.24 . . . . 0.62 109.951 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -98.6 69.8 1.9 Allowed 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 122.455 1.121 . . . . 2.73 109.899 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.28 12.82 1.79 Allowed Glycine 0 C--N 1.281 -2.518 0 N-CA-C 109.099 -1.6 . . . . 0.65 109.099 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.713 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 88.7 p -98.75 13.79 31.03 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.409 -1.054 . . . . 0.55 110.649 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' CG1' ' A' ' 18' ' ' VAL . 35.6 t80 -87.34 142.39 27.92 Favored 'General case' 0 C--O 1.182 -2.476 0 O-C-N 120.407 -1.433 . . . . 0.89 110.399 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 1.285 ' O ' ' CA ' ' A' ' 26' ' ' HIS . 2.1 m-20 -130.83 -97.38 0.34 Allowed 'General case' 1 C--O 0.463 -40.298 1 CA-C-O 172.084 24.754 . . . . 2.1 107.375 178.751 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 1.285 ' CA ' ' O ' ' A' ' 25' ' ' ASN . 14.8 p-80 -165.93 -32.75 0.03 OUTLIER 'General case' 1 C--N 0.766 -24.785 3 O-C-N 12.238 -69.039 . . . . 0.62 109.479 151.753 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 1.357 ' CE ' ' CG ' ' A' ' 27' ' ' LYS . 9.0 mtpp -82.5 -49.78 9.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.285 -0.884 . . . . 1.95 110.336 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -69.48 -38.28 77.63 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.938 -1.101 . . . . 3.2 109.935 -179.341 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 1.342 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 68.5 t80 -62.7 -64.84 0.8 Allowed 'General case' 0 C--N 1.288 -2.106 0 O-C-N 120.518 -1.364 . . . . 1.28 109.932 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 1.351 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 10.7 m-85 -60.66 -33.79 73.34 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.367 -0.833 . . . . 1.25 110.265 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -58.88 -40.13 83.47 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.073 -1.017 . . . . 0.69 109.734 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -76.09 -47.73 23.43 Favored 'General case' 0 C--O 1.17 -3.096 0 O-C-N 120.779 -1.2 . . . . 1.13 110.027 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.26 ' CG1' ' CA ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -48.49 -52.43 8.61 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.716 0 O-C-N 119.396 -2.065 . . . . 1.45 110.146 -179.438 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.31 -8.3 7.06 Favored Glycine 1 C--O 1.11 -7.627 0 O-C-N 120.518 -1.364 . . . . 0.67 110.792 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.843 ' HG ' HG11 ' A' ' 106' ' ' VAL . 0.7 OUTLIER -61.18 -16.21 42.28 Favored 'General case' 1 C--O 1.15 -4.165 0 O-C-N 118.161 -2.964 . . . . 1.63 110.626 -179.481 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -29.42 70.43 Favored 'General case' 1 C--O 1.125 -5.469 0 O-C-N 119.606 -1.934 . . . . 1.49 110.857 -179.624 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.81 36.72 3.29 Favored 'General case' 2 C--N 1.207 -5.605 0 O-C-N 117.532 -3.23 . . . . 1.47 114.613 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 1.24 ' CE ' ' SD ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -79.38 -100.1 0.03 OUTLIER 'General case' 1 C--O 0.513 -37.707 1 CA-C-O 142.871 10.843 . . . . 1.77 109.474 179.657 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.845 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.3 p -159.5 117.66 2.77 Favored 'General case' 1 C--N 0.875 -20.053 3 O-C-N 60.003 -39.186 . . . . 0.83 110.092 179.632 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.52 -32.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.313 0.577 . . . . 0.65 111.47 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 39' ' ' SER . 11.1 t-20 -72.45 -55.45 7.0 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 120.438 -1.414 . . . . 1.52 109.448 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.625 ' O ' HG23 ' A' ' 46' ' ' VAL . 35.8 m-20 -70.89 -3.08 17.3 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.308 -0.87 . . . . 1.19 109.395 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 39' ' ' SER . 47.3 t -90.56 -44.28 14.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 107.016 -1.475 . . . . 0.58 107.016 178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.387 ' CB ' ' CD ' ' A' ' 44' ' ' LYS . 6.5 mttt -63.15 -23.43 67.43 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 106.569 -1.641 . . . . 1.99 106.569 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.439 ' CG ' ' CE ' ' A' ' 45' ' ' LYS . 2.6 tttt -79.01 -31.37 44.69 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.785 -1.191 . . . . 2.38 107.785 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 42' ' ' ASP . 41.0 t -67.37 -43.57 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 107.92 -1.141 . . . . 0.44 107.92 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.9 t80 -62.61 -51.25 68.03 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.65 -0.87 . . . . 0.41 108.65 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -44.19 -29.5 0.64 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.908 -1.145 . . . . 1.91 107.908 179.318 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -81.79 -41.01 21.75 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.801 -0.815 . . . . 0.44 108.801 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.915 HG22 HG23 ' A' ' 58' ' ' ILE . 40.5 mm -54.28 -32.08 23.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.235 -1.024 . . . . 0.44 108.235 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -72.77 72.37 1.06 Allowed 'General case' 0 C--O 1.166 -3.302 0 CA-C-O 123.132 1.444 . . . . 0.8 109.231 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.86 -19.84 19.73 Favored 'General case' 2 C--O 0.994 -12.364 0 N-CA-C 115.206 1.558 . . . . 1.4 115.206 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -107.57 -4.04 18.74 Favored 'General case' 2 C--O 0.917 -16.439 3 CA-C-O 135.571 7.367 . . . . 1.54 110.229 -179.849 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 76.83 48.9 0.06 Allowed 'General case' 1 C--N 0.901 -18.913 2 O-C-N 96.48 -16.387 . . . . 1.36 113.185 178.409 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.571 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 34.1 p -120.41 31.68 6.35 Favored 'General case' 1 C--N 1.236 -4.342 0 O-C-N 118.37 -2.706 . . . . 1.21 108.922 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 41.44 29.9 0.47 Allowed Glycine 0 N--CA 1.481 1.666 0 N-CA-C 109.793 -1.323 . . . . 0.54 109.793 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 32.8 m-85 -149.26 147.87 28.89 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.169 -1.195 . . . . 0.57 110.891 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.915 HG23 HG22 ' A' ' 50' ' ' ILE . 12.2 mm -96.03 106.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.093 -1.447 . . . . 0.55 107.093 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -88.88 163.25 15.71 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.826 -1.171 . . . . 1.79 110.553 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.76 ' OE1' ' CB ' ' A' ' 60' ' ' GLU . 57.5 mt-10 -50.88 -40.6 56.82 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.428 -0.795 . . . . 2.24 109.855 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 1.315 ' CG ' ' CA ' ' A' ' 61' ' ' GLU . 3.2 tt0 -62.13 -34.11 75.74 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.094 -1.004 . . . . 2.65 110.08 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 1.253 ' CG ' ' OE1' ' A' ' 62' ' ' GLU . 6.9 mp0 -70.7 -36.43 73.25 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.111 -1.07 . . . . 2.09 108.111 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 60' ' ' GLU . 48.1 mt -57.62 -37.05 72.63 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 109.079 -0.712 . . . . 0.58 109.079 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 7.8 tttt -65.97 -44.35 85.2 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 120.7 -1.25 . . . . 1.87 109.62 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -98.83 18.29 17.41 Favored 'General case' 0 C--O 1.173 -2.958 0 O-C-N 121.005 -1.059 . . . . 1.66 109.592 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 66' ' ' VAL . 13.1 p -50.95 -18.79 0.72 Allowed 'Isoleucine or valine' 1 C--O 1.1 -6.806 0 O-C-N 120.256 -1.527 . . . . 1.12 111.758 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 75' ' ' ARG . 9.6 mt -103.99 16.34 26.51 Favored 'General case' 1 C--O 1.097 -6.941 0 O-C-N 117.564 -3.21 . . . . 2.04 111.431 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.803 ' C ' ' HE2' ' A' ' 68' ' ' LYS . 16.5 tttt -78.9 -32.35 45.75 Favored 'General case' 1 C--N 1.219 -5.08 0 O-C-N 116.817 -3.677 . . . . 3.73 109.287 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.567 ' HA ' ' H1 ' ' A' ' 0' ' ' ACE . 48.6 m -69.54 -27.87 65.53 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.172 -0.955 . . . . 1.56 109.046 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -91.68 -19.16 22.95 Favored 'General case' 0 C--O 1.178 -2.691 0 N-CA-C 108.739 -0.837 . . . . 1.37 108.739 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.632 ' HB3' ' HA3' ' A' ' 74' ' ' GLY . . . -159.41 103.63 1.6 Allowed 'General case' 1 C--O 0.762 -24.603 0 CA-C-O 127.658 3.599 . . . . 1.48 110.246 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . . . -33.91 -38.43 0.06 Allowed 'General case' 2 C--N 0.982 -15.376 3 O-C-N 94.911 -17.368 . . . . 1.55 109.111 -179.741 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 1.13 ' OD1' ' CB ' ' A' ' 73' ' ' ASP . 16.8 t0 -139.42 46.8 1.9 Allowed 'General case' 2 C--O 1.075 -8.108 0 CA-C-O 113.611 -3.09 . . . . 1.93 108.483 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.632 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -75.59 -94.04 0.17 Allowed Glycine 2 N--CA 1.286 -11.348 0 CA-C-O 124.866 2.37 . . . . 1.58 117.714 -178.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 1.41 ' NH2' ' NE ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -86.59 62.26 7.3 Favored 'General case' 2 C--O 0.45 -41.005 1 CA-C-O 159.971 18.986 . . . . 1.72 113.117 -178.854 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 1.445 ' OD1' ' CB ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -44.61 101.68 0.02 OUTLIER 'General case' 1 C--N 0.792 -23.64 3 O-C-N 31.28 -57.137 . . . . 1.58 108.503 176.159 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.357 ' CD1' ' CB ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -51.79 155.01 1.83 Allowed 'General case' 0 C--N 1.28 -2.455 0 O-C-N 120.585 -1.322 . . . . 1.41 110.96 -178.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.629 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -96.21 -10.85 27.07 Favored 'General case' 1 C--O 0.961 -14.111 0 CA-C-O 122.773 1.273 . . . . 1.42 110.65 -179.739 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.629 ' CB ' ' O ' ' A' ' 78' ' ' THR . 34.4 t0 113.79 -60.06 0.0 OUTLIER 'General case' 1 C--N 1.131 -8.923 3 O-C-N 110.994 -7.316 . . . . 1.76 105.846 -177.448 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.04 84.71 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.833 -1.173 . . . . 0.65 107.833 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 75' ' ' ARG . 71.1 mt-10 -62.82 -29.6 70.85 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 122.13 0.967 . . . . 0.98 109.28 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 m -80.42 -23.39 40.37 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 108.35 -0.982 . . . . 0.47 108.35 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -11.88 59.16 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.752 -1.203 . . . . 2.14 107.752 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.96 -49.82 6.55 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.337 -0.986 . . . . 0.38 108.337 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.03 -47.12 81.67 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.995 -0.743 . . . . 0.55 108.995 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.87 -42.92 97.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.444 -0.785 . . . . 0.48 110.497 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 1.439 ' CB ' ' CD ' ' A' ' 87' ' ' LYS . 19.8 tttt -79.61 -0.13 32.47 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.956 -1.09 . . . . 3.22 110.444 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.623 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -116.04 -15.3 11.16 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 120.797 -1.189 . . . . 0.72 108.946 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.34 -15.66 13.9 Favored 'General case' 1 C--O 1.141 -4.641 0 O-C-N 121.54 -0.725 . . . . 0.89 110.796 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -105.19 117.25 33.53 Favored 'General case' 1 C--O 0.89 -17.835 0 O-C-N 118.672 -2.517 . . . . 1.21 109.076 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 1.336 ' CE ' ' CG ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -108.39 -44.9 4.0 Favored 'General case' 1 C--N 1.07 -11.556 3 O-C-N 103.701 -11.875 . . . . 2.18 108.869 179.577 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -71.94 -10.61 60.01 Favored 'General case' 0 C--N 1.278 -2.504 0 O-C-N 121.166 -0.959 . . . . 1.08 110.146 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 65.66 43.43 94.35 Favored Glycine 0 C--N 1.277 -2.698 0 C-N-CA 119.87 -1.157 . . . . 1.02 112.048 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -99.69 -11.09 21.19 Favored 'General case' 1 C--O 1.132 -5.11 0 O-C-N 121.306 -1.114 . . . . 0.85 109.723 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.39 8.79 85.8 Favored Glycine 1 C--N 1.246 -4.463 0 O-C-N 118.2 -2.813 . . . . 0.66 110.807 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 1.31 ' NZ ' ' CD ' ' A' ' 96' ' ' LYS . 10.9 mtmt -142.45 130.55 21.99 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 120.233 -1.745 . . . . 2.06 110.06 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 1.265 ' CD1' ' CB ' ' A' ' 97' ' ' ILE . 3.7 mp -102.88 101.31 11.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 O-C-N 120.838 -1.164 . . . . 1.38 109.132 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.38 -165.78 6.98 Favored Glycine 0 N--CA 1.483 1.832 0 N-CA-C 108.655 -1.778 . . . . 0.33 108.655 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 9.1 mm -71.26 -72.97 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.137 -1.214 . . . . 0.36 110.131 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 1.235 ' CG ' ' CA ' ' A' ' 100' ' ' ASP . 65.1 m-20 -38.47 -37.22 0.29 Allowed 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.985 -1.072 . . . . 2.28 110.609 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -71.17 -44.85 64.67 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.85 -1.156 . . . . 1.74 107.953 178.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.793 ' O ' HG23 ' A' ' 106' ' ' VAL . 51.2 t80 -69.1 -55.39 10.87 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.701 -0.624 . . . . 0.97 111.009 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -64.01 -14.21 52.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.718 -1.238 . . . . 2.78 110.232 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 1.7 m -85.82 -41.76 14.74 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.905 -1.122 . . . . 0.52 108.315 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -36.12 56.31 Favored 'General case' 0 C--O 1.159 -3.71 0 O-C-N 120.425 -1.422 . . . . 1.9 109.708 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.843 HG11 ' HG ' ' A' ' 35' ' ' LEU . 21.3 t -68.26 -38.31 79.34 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.352 0 O-C-N 119.042 -2.286 . . . . 0.61 109.37 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.566 ' CE1' HG21 ' A' ' 43' ' ' VAL . 6.7 m-70 -74.13 -35.14 64.1 Favored 'General case' 0 C--O 1.18 -2.556 0 O-C-N 120.994 -1.066 . . . . 0.89 109.67 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.91 4.51 37.13 Favored 'General case' 1 C--O 1.065 -8.649 0 CA-C-O 124.283 1.992 . . . . 2.73 109.796 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.277 ' OXT' ' CA ' ' A' ' 109' ' ' ALA . . . . . . . . 3 C--O 0.556 -35.424 2 CA-C-O 175.257 26.265 . . . . 1.84 109.916 179.956 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.567 ' H1 ' ' HA ' ' A' ' 69' ' ' SER . . . . . . . . 1 C--O 0.892 -17.762 . . . . . . . . 3.0499999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 0.353 . . -175.74 17.23 0.01 OUTLIER 'General case' 2 C--N 0.705 -27.445 1 O-C-N 106.032 -10.418 . . . . 1.6200000000000001 114.738 . . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.3 14.78 27.0 Favored 'General case' 0 C--N 1.273 -2.732 0 O-C-N 120.868 -1.145 . . . . 0.90000000000000002 109.349 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.359 ' CB ' ' CD ' ' A' ' 3' ' ' LYS . 3.6 tttt -80.9 -28.82 35.75 Favored 'General case' 0 C--N 1.254 -3.583 0 CA-C-O 122.402 1.096 . . . . 3.1400000000000001 109.799 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.02 -14.01 56.55 Favored 'General case' 0 C--N 1.246 -3.9 0 O-C-N 119.764 -1.835 . . . . 2.77 112.338 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -93.11 -11.53 32.69 Favored 'General case' 1 C--O 1.008 -11.64 0 C-N-CA 117.814 -1.555 . . . . 1.55 109.119 -179.871 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.425 ' CD1' ' CB ' ' A' ' 6' ' ' LEU 0.426 3.8 mt -133.36 179.88 5.93 Favored 'General case' 3 C--O 0.82 -21.525 2 CA-C-O 98.486 -10.292 . . . . 2.3500000000000001 117.486 -179.691 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 1.152 0.5 OUTLIER -72.56 -40.16 66.88 Favored 'General case' 4 N--CA 1.116 -17.161 5 N-CA-C 159.769 18.063 . . . . 6.3700000000000001 159.769 -179.916 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.255 . . 119.53 -79.75 0.0 OUTLIER 'General case' 2 C--N 0.528 -35.115 3 O-C-N 102.053 -12.905 . . . . 1.1599999999999999 112.614 179.592 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -64.43 -25.18 67.9 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 122.199 1.0 . . . . 1.5700000000000001 110.175 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.599 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 3.8 m-20 -69.59 -31.16 69.15 Favored 'General case' 0 C--N 1.255 -3.506 0 O-C-N 120.555 -1.34 . . . . 1.26 109.527 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -80.85 -26.34 10.98 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.027 0 O-C-N 120.11 -1.619 . . . . 0.88 109.2 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 16.9 mttt -78.45 -19.31 53.43 Favored 'General case' 0 C--N 1.282 -2.34 0 O-C-N 120.857 -1.152 . . . . 2.5099999999999998 110.107 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.459 ' NZ ' ' CD ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -88.48 -43.2 11.62 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.128 -0.983 . . . . 2.0299999999999998 108.743 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -66.77 -45.7 77.67 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.093 -1.004 . . . . 0.48999999999999999 110.293 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.285 ' CD1' ' CB ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -67.21 -38.29 85.06 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 120.987 -1.07 . . . . 1.45 109.212 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 15.2 m-20 -68.26 -20.07 64.77 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.909 -1.119 . . . . 1.0 109.42 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.52 -21.98 23.85 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 121.43 -0.794 . . . . 0.68999999999999995 109.473 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 14' ' ' ALA . 35.7 m -121.79 4.45 6.05 Favored 'Isoleucine or valine' 1 C--O 1.124 -5.504 0 O-C-N 120.722 -1.237 . . . . 0.91000000000000003 112.205 -179.025 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 1.482 ' CE ' ' CG ' ' A' ' 19' ' ' LYS . 1.8 tttt -51.8 -25.0 6.77 Favored 'General case' 0 C--N 1.256 -3.477 0 O-C-N 117.707 -3.121 . . . . 2.5899999999999999 111.611 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.713 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -55.22 175.35 0.07 Allowed 'General case' 0 C--N 1.288 -2.103 0 O-C-N 120.716 -1.24 . . . . 0.62 109.951 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -98.6 69.8 1.9 Allowed 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 122.455 1.121 . . . . 2.73 109.899 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.28 12.82 1.79 Allowed Glycine 0 C--N 1.281 -2.518 0 N-CA-C 109.099 -1.6 . . . . 0.65000000000000002 109.099 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.713 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 88.7 p -98.75 13.79 31.03 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.409 -1.054 . . . . 0.55000000000000004 110.649 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' CG1' ' A' ' 18' ' ' VAL . 35.6 t80 -87.34 142.39 27.92 Favored 'General case' 0 C--O 1.182 -2.476 0 O-C-N 120.407 -1.433 . . . . 0.89000000000000001 110.399 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 1.285 ' O ' ' CA ' ' A' ' 26' ' ' HIS . 2.1 m-20 -130.83 -97.38 0.34 Allowed 'General case' 1 C--O 0.463 -40.298 1 CA-C-O 172.084 24.754 . . . . 2.1000000000000001 107.375 178.751 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 1.285 ' CA ' ' O ' ' A' ' 25' ' ' ASN . 14.8 p-80 -165.93 -32.75 0.03 OUTLIER 'General case' 1 C--N 0.766 -24.785 3 O-C-N 12.238 -69.039 . . . . 0.62 109.479 151.753 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 1.357 ' CE ' ' CG ' ' A' ' 27' ' ' LYS . 9.0 mtpp -82.5 -49.78 9.55 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.285 -0.884 . . . . 1.95 110.336 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -69.48 -38.28 77.63 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.938 -1.101 . . . . 3.2000000000000002 109.935 -179.341 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 1.342 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 68.5 t80 -62.7 -64.84 0.8 Allowed 'General case' 0 C--N 1.288 -2.106 0 O-C-N 120.518 -1.364 . . . . 1.28 109.932 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 1.351 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 10.7 m-85 -60.66 -33.79 73.34 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.367 -0.833 . . . . 1.25 110.265 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -58.88 -40.13 83.47 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.073 -1.017 . . . . 0.68999999999999995 109.734 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -76.09 -47.73 23.43 Favored 'General case' 0 C--O 1.17 -3.096 0 O-C-N 120.779 -1.2 . . . . 1.1299999999999999 110.027 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.26 ' CG1' ' CA ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -48.49 -52.43 8.61 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.716 0 O-C-N 119.396 -2.065 . . . . 1.45 110.146 -179.438 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.31 -8.3 7.06 Favored Glycine 1 C--O 1.11 -7.627 0 O-C-N 120.518 -1.364 . . . . 0.67000000000000004 110.792 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.843 ' HG ' HG11 ' A' ' 106' ' ' VAL . 0.7 OUTLIER -61.18 -16.21 42.28 Favored 'General case' 1 C--O 1.15 -4.165 0 O-C-N 118.161 -2.964 . . . . 1.6299999999999999 110.626 -179.481 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 107' ' ' HIS . 0.2 OUTLIER -62.31 -29.42 70.43 Favored 'General case' 1 C--O 1.125 -5.469 0 O-C-N 119.606 -1.934 . . . . 1.49 110.857 -179.624 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.81 36.72 3.29 Favored 'General case' 2 C--N 1.207 -5.605 0 O-C-N 117.532 -3.23 . . . . 1.47 114.613 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 1.24 ' SD ' ' CE ' ' A' ' 38' ' ' MET . 0.0 OUTLIER -79.38 -100.1 0.03 OUTLIER 'General case' 1 C--O 0.513 -37.707 1 CA-C-O 142.871 10.843 . . . . 1.77 109.474 179.657 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.845 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.3 p -159.5 117.66 2.77 Favored 'General case' 1 C--N 0.875 -20.053 3 O-C-N 60.003 -39.186 . . . . 0.82999999999999996 110.092 179.632 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.52 -32.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.313 0.577 . . . . 0.65000000000000002 111.47 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.6 t30 -72.45 -55.45 7.0 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 120.438 -1.414 . . . . 1.52 109.448 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.625 ' O ' HG23 ' A' ' 46' ' ' VAL . 35.8 m-20 -70.89 -3.08 17.3 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.308 -0.87 . . . . 1.1899999999999999 109.395 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 39' ' ' SER . 47.3 t -90.56 -44.28 14.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 107.016 -1.475 . . . . 0.57999999999999996 107.016 178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.387 ' CB ' ' CD ' ' A' ' 44' ' ' LYS . 6.5 mttt -63.15 -23.43 67.43 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 106.569 -1.641 . . . . 1.99 106.569 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.439 ' CG ' ' CE ' ' A' ' 45' ' ' LYS . 2.6 tttt -79.01 -31.37 44.69 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.785 -1.191 . . . . 2.3799999999999999 107.785 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 42' ' ' ASP . 41.0 t -67.37 -43.57 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 107.92 -1.141 . . . . 0.44 107.92 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.9 t80 -62.61 -51.25 68.03 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.65 -0.87 . . . . 0.40999999999999998 108.65 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -44.19 -29.5 0.64 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.908 -1.145 . . . . 1.9099999999999999 107.908 179.318 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -81.79 -41.01 21.75 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.801 -0.815 . . . . 0.44 108.801 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.915 HG22 HG23 ' A' ' 58' ' ' ILE . 40.5 mm -54.28 -32.08 23.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.235 -1.024 . . . . 0.44 108.235 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -72.77 72.37 1.06 Allowed 'General case' 0 C--O 1.166 -3.302 0 CA-C-O 123.132 1.444 . . . . 0.80000000000000004 109.231 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.86 -19.84 19.73 Favored 'General case' 2 C--O 0.994 -12.364 0 N-CA-C 115.206 1.558 . . . . 1.3999999999999999 115.206 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -107.57 -4.04 18.74 Favored 'General case' 2 C--O 0.917 -16.439 3 CA-C-O 135.571 7.367 . . . . 1.54 110.229 -179.849 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 76.83 48.9 0.06 Allowed 'General case' 1 C--N 0.901 -18.913 2 O-C-N 96.48 -16.387 . . . . 1.3600000000000001 113.185 178.409 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.571 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 34.1 p -120.41 31.68 6.35 Favored 'General case' 1 C--N 1.236 -4.342 0 O-C-N 118.37 -2.706 . . . . 1.21 108.922 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 41.44 29.9 0.47 Allowed Glycine 0 N--CA 1.481 1.666 0 N-CA-C 109.793 -1.323 . . . . 0.54000000000000004 109.793 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 32.8 m-85 -149.26 147.87 28.89 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.169 -1.195 . . . . 0.56999999999999995 110.891 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.915 HG23 HG22 ' A' ' 50' ' ' ILE . 12.2 mm -96.03 106.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.093 -1.447 . . . . 0.55000000000000004 107.093 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -88.88 163.25 15.71 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.826 -1.171 . . . . 1.79 110.553 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.76 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 57.5 mt-10 -50.88 -40.6 56.82 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.428 -0.795 . . . . 2.2400000000000002 109.855 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 1.315 ' CG ' ' CA ' ' A' ' 61' ' ' GLU . 3.2 tt0 -62.13 -34.11 75.74 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.094 -1.004 . . . . 2.6499999999999999 110.08 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 1.253 ' CG ' ' OE1' ' A' ' 62' ' ' GLU . 6.9 mp0 -70.7 -36.43 73.25 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.111 -1.07 . . . . 2.0899999999999999 108.111 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 60' ' ' GLU . 48.1 mt -57.62 -37.05 72.63 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 109.079 -0.712 . . . . 0.57999999999999996 109.079 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 7.8 tttt -65.97 -44.35 85.2 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 120.7 -1.25 . . . . 1.8700000000000001 109.62 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -98.83 18.29 17.41 Favored 'General case' 0 C--O 1.173 -2.958 0 O-C-N 121.005 -1.059 . . . . 1.6599999999999999 109.592 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 66' ' ' VAL . 13.1 p -50.95 -18.79 0.72 Allowed 'Isoleucine or valine' 1 C--O 1.1 -6.806 0 O-C-N 120.256 -1.527 . . . . 1.1200000000000001 111.758 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 75' ' ' ARG . 9.6 mt -103.99 16.34 26.51 Favored 'General case' 1 C--O 1.097 -6.941 0 O-C-N 117.564 -3.21 . . . . 2.04 111.431 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.803 ' C ' ' HE2' ' A' ' 68' ' ' LYS . 16.5 tttt -78.9 -32.35 45.75 Favored 'General case' 1 C--N 1.219 -5.08 0 O-C-N 116.817 -3.677 . . . . 3.73 109.287 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.567 ' HA ' ' H1 ' ' A' ' 0' ' ' ACE . 48.6 m -69.54 -27.87 65.53 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.172 -0.955 . . . . 1.5600000000000001 109.046 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -91.68 -19.16 22.95 Favored 'General case' 0 C--O 1.178 -2.691 0 N-CA-C 108.739 -0.837 . . . . 1.3700000000000001 108.739 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.632 ' HB3' ' HA3' ' A' ' 74' ' ' GLY . . . -159.41 103.63 1.6 Allowed 'General case' 1 C--O 0.762 -24.603 0 CA-C-O 127.658 3.599 . . . . 1.48 110.246 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . . . -33.91 -38.43 0.06 Allowed 'General case' 2 C--N 0.982 -15.376 3 O-C-N 94.911 -17.368 . . . . 1.55 109.111 -179.741 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 1.13 ' OD1' ' CB ' ' A' ' 73' ' ' ASP . 16.8 t0 -139.42 46.8 1.9 Allowed 'General case' 2 C--O 1.075 -8.108 0 CA-C-O 113.611 -3.09 . . . . 1.9299999999999999 108.483 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.632 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -75.59 -94.04 0.17 Allowed Glycine 2 N--CA 1.286 -11.348 0 CA-C-O 124.866 2.37 . . . . 1.5800000000000001 117.714 -178.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 1.41 ' NH2' ' NE ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -86.59 62.26 7.3 Favored 'General case' 2 C--O 0.45 -41.005 1 CA-C-O 159.971 18.986 . . . . 1.72 113.117 -178.854 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 1.445 ' OD1' ' CB ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -44.61 101.68 0.02 OUTLIER 'General case' 1 C--N 0.792 -23.64 3 O-C-N 31.28 -57.137 . . . . 1.5800000000000001 108.503 176.159 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.357 ' CD1' ' CB ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -51.79 155.01 1.83 Allowed 'General case' 0 C--N 1.28 -2.455 0 O-C-N 120.585 -1.322 . . . . 1.4099999999999999 110.96 -178.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.629 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -96.21 -10.85 27.07 Favored 'General case' 1 C--O 0.961 -14.111 0 CA-C-O 122.773 1.273 . . . . 1.4199999999999999 110.65 -179.739 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.629 ' CB ' ' O ' ' A' ' 78' ' ' THR . 34.4 t0 113.79 -60.06 0.0 OUTLIER 'General case' 1 C--N 1.131 -8.923 3 O-C-N 110.994 -7.316 . . . . 1.76 105.846 -177.448 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.04 84.71 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.833 -1.173 . . . . 0.65000000000000002 107.833 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 75' ' ' ARG . 71.1 mt-10 -62.82 -29.6 70.85 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 122.13 0.967 . . . . 0.97999999999999998 109.28 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 m -80.42 -23.39 40.37 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 108.35 -0.982 . . . . 0.46999999999999997 108.35 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -11.88 59.16 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.752 -1.203 . . . . 2.1400000000000001 107.752 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.96 -49.82 6.55 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.337 -0.986 . . . . 0.38 108.337 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.03 -47.12 81.67 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.995 -0.743 . . . . 0.55000000000000004 108.995 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.87 -42.92 97.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.444 -0.785 . . . . 0.47999999999999998 110.497 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 1.439 ' CB ' ' CD ' ' A' ' 87' ' ' LYS . 19.8 tttt -79.61 -0.13 32.47 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.956 -1.09 . . . . 3.2200000000000002 110.444 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.623 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -116.04 -15.3 11.16 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 120.797 -1.189 . . . . 0.71999999999999997 108.946 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.34 -15.66 13.9 Favored 'General case' 1 C--O 1.141 -4.641 0 O-C-N 121.54 -0.725 . . . . 0.89000000000000001 110.796 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -105.19 117.25 33.53 Favored 'General case' 1 C--O 0.89 -17.835 0 O-C-N 118.672 -2.517 . . . . 1.21 109.076 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 1.336 ' CE ' ' CG ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -108.39 -44.9 4.0 Favored 'General case' 1 C--N 1.07 -11.556 3 O-C-N 103.701 -11.875 . . . . 2.1800000000000002 108.869 179.577 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -71.94 -10.61 60.01 Favored 'General case' 0 C--N 1.278 -2.504 0 O-C-N 121.166 -0.959 . . . . 1.0800000000000001 110.146 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 65.66 43.43 94.35 Favored Glycine 0 C--N 1.277 -2.698 0 C-N-CA 119.87 -1.157 . . . . 1.02 112.048 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -99.69 -11.09 21.19 Favored 'General case' 1 C--O 1.132 -5.11 0 O-C-N 121.306 -1.114 . . . . 0.84999999999999998 109.723 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.39 8.79 85.8 Favored Glycine 1 C--N 1.246 -4.463 0 O-C-N 118.2 -2.813 . . . . 0.66000000000000003 110.807 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 1.31 ' NZ ' ' CD ' ' A' ' 96' ' ' LYS . 10.9 mtmt -142.45 130.55 21.99 Favored 'General case' 0 C--N 1.285 -2.215 0 O-C-N 120.233 -1.745 . . . . 2.0600000000000001 110.06 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 1.265 ' CD1' ' CB ' ' A' ' 97' ' ' ILE . 3.7 mp -102.88 101.31 11.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 O-C-N 120.838 -1.164 . . . . 1.3799999999999999 109.132 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.38 -165.78 6.98 Favored Glycine 0 N--CA 1.483 1.832 0 N-CA-C 108.655 -1.778 . . . . 0.33000000000000002 108.655 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 9.1 mm -71.26 -72.97 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.137 -1.214 . . . . 0.35999999999999999 110.131 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 1.235 ' CG ' ' CA ' ' A' ' 100' ' ' ASP . 65.1 m-20 -38.47 -37.22 0.29 Allowed 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.985 -1.072 . . . . 2.2799999999999998 110.609 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -71.17 -44.85 64.67 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.85 -1.156 . . . . 1.74 107.953 178.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.793 ' O ' HG23 ' A' ' 106' ' ' VAL . 51.2 t80 -69.1 -55.39 10.87 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.701 -0.624 . . . . 0.96999999999999997 111.009 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -64.01 -14.21 52.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.718 -1.238 . . . . 2.7799999999999998 110.232 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 1.7 m -85.82 -41.76 14.74 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.905 -1.122 . . . . 0.52000000000000002 108.315 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -36.12 56.31 Favored 'General case' 0 C--O 1.159 -3.71 0 O-C-N 120.425 -1.422 . . . . 1.8999999999999999 109.708 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.843 HG11 ' HG ' ' A' ' 35' ' ' LEU . 21.3 t -68.26 -38.31 79.34 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.352 0 O-C-N 119.042 -2.286 . . . . 0.60999999999999999 109.37 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.493 ' HD2' ' O ' ' A' ' 36' ' ' LYS . 12.7 m170 -74.13 -35.14 64.1 Favored 'General case' 0 C--O 1.18 -2.556 0 O-C-N 120.994 -1.066 . . . . 0.89000000000000001 109.67 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.91 4.51 37.13 Favored 'General case' 1 C--O 1.065 -8.649 0 CA-C-O 124.283 1.992 . . . . 2.73 109.796 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.277 ' OXT' ' CA ' ' A' ' 109' ' ' ALA . . . . . . . . 3 C--O 0.556 -35.424 2 CA-C-O 175.257 26.265 . . . . 1.8400000000000001 109.916 179.956 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_