data_2ytr_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 2ytr _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 core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.79 0.328 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.36 109.79 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.89 -13.52 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -79.52 -65.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -93.34 -46.59 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.456 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 113.79 45.19 0.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -99.67 130.17 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.51 121.43 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CE1' HD12 ' A' ' 28' ' ' LEU . 2.7 m-85 -109.0 171.47 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -79.76 -39.05 31.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -136.64 -179.39 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -72.69 -46.61 52.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -49.07 -38.87 25.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -66.58 -45.53 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.4 tp -54.38 -54.61 38.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 31' ' ' HIS . . . -53.27 -58.58 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -44.39 -22.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 5.0 t60 -94.16 -46.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -51.03 -17.17 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -61.54 -27.24 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.6 t -72.47 107.79 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.51 -21.25 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.88 -68.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.18 -45.09 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.95 46.12 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -100.48 120.45 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.53 126.88 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 29.4 m-85 -118.44 145.83 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -68.21 -17.36 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.803 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -155.83 171.15 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -70.95 -40.31 72.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -49.3 -42.99 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -71.26 -39.83 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.529 HD11 ' CE1' ' A' ' 22' ' ' PHE . 8.3 tp -58.86 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.18 -65.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -35.97 -30.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.4 t60 -86.63 -52.71 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -45.98 -19.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 15.4 mmm-85 -59.88 -11.8 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.2 t -79.37 106.43 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.2 -23.33 63.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.64 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -96.5 -44.31 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.78 44.31 1.05 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -99.56 119.39 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.322 . . . . 0.0 110.852 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.83 118.98 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 28' ' ' LEU . 11.9 m-85 -104.65 -178.08 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -97.32 -46.85 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.15 146.18 50.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -42.62 -40.99 2.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -56.25 -49.24 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -54.43 -41.95 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 22' ' ' PHE . 6.7 tp -58.72 -55.91 28.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.6 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' ALA . 52.4 ttm-85 -37.19 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ALA . 5.0 t60 -87.9 -53.15 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -45.48 -19.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 14.7 mmm180 -60.02 -11.12 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.409 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.62 119.87 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -11.07 60.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -83.04 -64.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.54 -48.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.03 43.72 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 2.8 tmtm? -96.6 123.73 40.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 116.31 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE1' HD12 ' A' ' 28' ' ' LEU . 15.4 m-85 -105.01 173.54 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -104.72 -40.19 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -122.18 140.02 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.1 m -42.27 -40.73 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -58.3 -50.61 73.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -49.06 -44.57 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 ' CE1' ' A' ' 22' ' ' PHE . 7.9 tp -60.76 -60.84 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -48.7 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 27.6 mtm-85 -37.14 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.6 t60 -88.09 -50.56 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -48.77 -19.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 16.4 mmm-85 -58.13 -21.57 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 19' ' ' GLY . 20.2 t -76.22 89.62 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -45.3 -31.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -54.55 -58.51 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -105.69 -46.32 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.73 45.3 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.595 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.9 tmtm? -102.58 117.59 35.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.02 119.56 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 18.7 m-85 -108.13 162.32 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -80.17 -42.68 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 25' ' ' THR . 6.4 tp60 -127.91 151.93 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m -48.35 -51.11 27.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -46.2 -50.56 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -51.14 -51.04 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.6 -54.11 37.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.56 -60.02 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -40.46 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' ALA . 4.2 t60 -90.64 -50.95 5.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -46.63 -19.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' ' 31' ' ' HIS . 5.5 mmt85 -59.71 -13.61 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -63.33 110.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.66 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -79.13 -67.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -90.71 -44.3 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.15 46.9 0.91 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 1.3 tmtm? -98.91 132.71 44.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -91.49 124.52 35.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.0 m-85 -117.04 155.95 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.8 t -66.92 -41.97 86.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.0 169.79 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 m -53.66 -43.13 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -48.85 -58.2 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -52.15 -46.24 65.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 HD11 ' CE1' ' A' ' 22' ' ' PHE . 7.2 tp -54.48 -58.96 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -50.56 -61.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -39.29 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 4.2 t60 -90.62 -48.23 7.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -51.08 -16.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -62.0 -20.86 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.5 122.45 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -74.78 -12.19 60.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.74 -63.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -91.74 -49.02 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.23 37.89 1.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.9 tmtt? -90.69 120.24 31.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.88 125.34 33.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 28' ' ' LEU . 34.0 m-85 -118.3 -175.77 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.3 m -120.9 -27.36 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -119.89 121.44 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -45.38 -31.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.2 p -66.41 -46.7 75.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -42.21 86.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 22' ' ' PHE . 7.9 tp -56.04 -56.67 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.34 -61.56 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -38.34 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.3 t60 -86.28 -52.99 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -45.26 -19.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 31' ' ' HIS . 8.3 mmm180 -60.29 -10.13 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -57.88 118.25 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.1 -21.96 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.6 -54.8 19.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.64 -45.44 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.95 47.85 0.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 3.0 tmtt? -109.24 120.87 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . . . -83.93 130.35 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 36.7 m-85 -114.75 -175.98 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.6 p -87.13 -53.08 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -128.21 164.49 22.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -52.72 -47.67 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -49.5 -46.63 48.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.67 -49.61 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tp -52.84 -54.73 30.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -51.45 -63.51 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 28.3 ttt180 -37.45 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.7 t60 -87.45 -51.78 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -47.17 -18.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 8.2 mmt180 -59.74 -14.35 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.331 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 19' ' ' GLY . 12.2 t -77.5 107.3 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -59.23 -27.69 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.41 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.35 -45.78 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 110.24 42.65 1.15 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.3 tmtm? -96.88 128.5 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.62 123.87 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 28' ' ' LEU . 4.4 m-85 -114.09 142.56 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -59.54 -51.05 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -122.68 155.77 35.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.8 m -50.98 -51.79 49.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 p -42.05 -42.95 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -63.13 -44.19 96.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.6 tp -54.12 -55.77 24.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.59 -60.84 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -40.08 -27.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' ARG . 3.4 t60 -88.63 -52.81 4.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -44.55 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' HIS . 11.8 mmm180 -60.3 -9.63 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -68.78 122.86 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -75.55 -6.65 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -88.79 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 p -91.15 -46.93 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.98 40.68 0.96 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.7 tmtt? -91.83 127.29 37.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.27 118.53 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 28' ' ' LEU . 22.5 m-85 -106.61 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.3 t -101.96 -37.0 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -131.66 145.05 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.2 m -46.09 -40.75 11.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -55.86 -47.88 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -56.41 -46.62 80.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 22' ' ' PHE . 8.2 tp -53.67 -55.41 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.25 -60.93 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -39.65 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 29' ' ' ALA . 4.2 t60 -91.82 -49.91 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -48.76 -18.12 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -60.47 -16.42 36.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.405 ' CD1' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 3.7 ptmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 17' ' ' GLU . 5.2 t -98.55 69.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.7 m-80 -31.77 -36.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . 21.3 mt-10 -47.6 -51.5 21.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -110.89 -39.34 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' C ' ' HE2' ' A' ' 14' ' ' LYS . . . 108.85 43.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -107.56 129.76 54.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.48 133.92 36.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.455 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 8.8 m-85 -120.72 157.05 30.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -61.53 -39.68 91.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -148.78 172.19 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.1 m -51.5 -57.21 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.2 t -40.69 -56.4 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -51.67 -44.14 62.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 5.2 tp -60.69 -56.38 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.29 -61.31 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -37.86 -28.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.5 t60 -88.34 -51.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -45.33 -19.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' HIS . 7.1 mmm180 -59.88 -11.55 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.89 107.93 10.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -64.02 -17.75 63.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.51 -62.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.31 -45.74 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 114.29 38.13 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 1.8 tmtm? -87.63 119.92 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 118.89 25.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 28' ' ' LEU . 28.2 m-85 -108.14 -176.22 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -109.66 -15.35 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -154.75 160.98 41.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -58.71 -43.94 90.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -52.88 -52.03 58.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -55.23 -47.78 74.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 22' ' ' PHE . 6.6 tp -53.15 -54.52 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.3 -61.48 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -38.5 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' ARG . 3.3 t60 -88.78 -53.94 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -43.85 -19.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.8 mmm-85 -59.04 -11.62 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.544 ' C ' ' CD1' ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HZ1' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 5.3 t -98.35 107.62 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.82 7.88 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 15' ' ' CYS . 21.9 mt-10 -99.38 -31.45 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -129.72 -28.37 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.516 ' C ' ' CE ' ' A' ' 14' ' ' LYS . . . 94.6 39.43 4.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.459 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.16 130.0 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' N ' ' HZ1' ' A' ' 14' ' ' LYS . . . -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.3 m-85 -117.28 172.29 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.6 m -85.49 -38.38 18.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -140.62 160.24 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.5 m -48.59 -49.72 35.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -47.54 -53.12 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -52.34 -43.62 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.43 -61.16 2.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.06 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -37.77 -27.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.8 t60 -89.89 -48.92 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -49.29 -17.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 9.2 mmm180 -59.92 -18.56 45.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.0 t -71.65 104.77 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -66.69 -70.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.08 -41.77 11.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.63 44.4 1.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 1.4 tmtm? -98.03 126.98 43.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -87.61 128.51 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 31.5 m-85 -123.88 122.49 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -65.8 -14.33 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -131.72 133.58 44.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -56.19 -37.17 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.3 t -63.16 -39.76 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 2.7 mptt -61.25 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 22' ' ' PHE . 5.4 tp -57.73 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.02 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -45.85 -23.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -92.74 -48.11 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -49.61 -18.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -58.96 -21.04 57.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.453 ' N ' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -61.93 106.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -63.28 -21.57 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.44 -65.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -94.57 -46.99 6.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.97 45.8 0.68 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.4 tmtm? -98.43 126.9 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.16 125.97 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.051 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 28' ' ' LEU . 19.3 m-85 -118.5 153.2 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.3 p -79.59 -31.53 41.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -137.55 157.25 46.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.2 m -56.94 -57.1 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 t -40.0 -37.93 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -67.15 -51.43 53.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 22' ' ' PHE . 6.9 tp -52.37 -53.75 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.28 -60.39 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -39.73 -25.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.7 t60 -92.17 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -48.98 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -58.34 -21.0 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.5 122.03 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -75.74 -7.94 55.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -87.08 -66.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.0 p -91.42 -46.06 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.46 43.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.2 tmtm? -95.5 128.85 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.92 117.4 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 11.8 m-85 -107.82 170.04 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -79.39 -60.58 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -117.64 154.72 31.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -43.37 -50.08 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -45.56 -43.18 11.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 31.6 mmtm -59.99 -44.36 94.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' A' ' 22' ' ' PHE . 10.5 tp -56.26 -59.93 4.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.14 -62.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.401 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 12.4 tpt180 -39.07 -26.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.9 t60 -90.53 -50.55 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -46.94 -18.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 31' ' ' HIS . 10.3 mmm180 -59.71 -13.73 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.71 108.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -26.64 68.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.81 -66.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.66 -46.51 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.19 44.92 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.1 tmtm? -94.33 131.59 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.97 121.34 36.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 28' ' ' LEU . 14.9 m-85 -113.82 155.89 24.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.5 m -75.54 -50.05 16.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -126.28 155.51 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -50.06 -39.59 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -53.59 -37.33 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -43.18 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 HD12 ' CE1' ' A' ' 22' ' ' PHE . 7.0 tp -58.06 -61.64 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -44.34 -62.14 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ALA . 33.8 ttt-85 -35.58 -36.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' O ' ' CG1' ' A' ' 34' ' ' ILE . 8.5 t60 -86.5 -40.11 15.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.3 mt-30 -52.86 -21.59 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 2.4 mmt180 -95.29 17.6 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 31' ' ' HIS . 1.5 pp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.363 . . . . 0.0 110.868 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -68.12 108.96 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -64.13 -18.66 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.64 -67.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -93.89 -49.49 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 119.71 40.74 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.3 tmtt? -90.58 129.57 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.84 118.03 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 28' ' ' LEU . 11.1 m-85 -109.62 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -97.95 -49.95 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -118.4 146.7 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -45.86 -40.96 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -55.11 -44.11 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -46.44 88.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 22' ' ' PHE . 7.4 tp -53.85 -54.61 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.08 -63.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 26.4 ttt180 -37.3 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' ALA . 4.0 t60 -87.86 -52.39 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -46.55 -18.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 13.7 mmm-85 -60.03 -12.83 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.52 115.8 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.52 -9.76 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.63 -59.93 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -100.49 -43.1 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 112.01 30.88 2.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 5.7 tmtt? -81.01 123.36 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.38 121.54 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 15.4 m-85 -112.26 162.89 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -75.03 -52.66 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -124.22 168.77 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 m -58.81 -52.94 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -44.53 -40.81 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -63.46 -49.78 72.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.43 HD11 ' CE1' ' A' ' 22' ' ' PHE . 5.5 tp -55.72 -62.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -42.41 -60.71 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.031 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -37.88 -35.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.449 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 7.8 t60 -87.06 -34.47 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' ALA . 20.9 mt-30 -58.68 -16.5 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.28 5.47 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.449 ' CG2' ' HA ' ' A' ' 31' ' ' HIS . 1.3 pp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.792 0.329 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.95 118.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.34 -22.48 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.72 -58.63 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -101.17 -47.32 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.46 44.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -104.19 124.12 48.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.78 128.47 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CE1' HD11 ' A' ' 28' ' ' LEU . 9.5 m-85 -114.1 176.45 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -86.44 -46.39 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -129.23 167.76 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -57.22 -44.85 84.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -50.49 -51.23 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -54.74 -45.3 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD11 ' CE1' ' A' ' 22' ' ' PHE . 7.9 tp -55.07 -55.4 31.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.99 -61.22 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 19.1 ttp180 -37.62 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' ALA . 4.4 t60 -87.68 -51.39 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -46.16 -18.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 31' ' ' HIS . 13.8 mmm-85 -59.88 -12.13 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -88.25 138.68 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 m -67.01 100.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.05 174.49 14.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -105.34 101.39 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -130.65 91.99 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 -142.87 3.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.2 p -116.82 154.31 30.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.26 -139.78 6.9 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.548 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 29.8 mt-10 -127.04 103.36 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -119.48 46.93 0.88 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.699 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.1 Cg_endo -69.79 -12.57 33.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.246 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -91.03 33.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -76.07 150.88 37.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.36 109.79 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.89 -13.52 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -79.52 -65.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -93.34 -46.59 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 113.79 45.19 0.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -99.67 130.17 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.51 121.43 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CE1' HD12 ' A' ' 28' ' ' LEU . 2.7 m-85 -109.0 171.47 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -79.76 -39.05 31.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -136.64 -179.39 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -72.69 -46.61 52.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -49.07 -38.87 25.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -66.58 -45.53 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.4 tp -54.38 -54.61 38.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 31' ' ' HIS . . . -53.27 -58.58 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -44.39 -22.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 5.0 t60 -94.16 -46.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -51.03 -17.17 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -61.54 -27.24 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -79.23 -6.18 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' HD11 ' A' ' 34' ' ' ILE . 30.1 m-70 -96.26 -26.87 15.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 t -69.62 -9.59 54.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.75 23.99 77.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -86.7 -53.39 4.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -61.03 153.23 67.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.597 0.713 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 105.5 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 t -58.91 160.94 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.7 -100.66 0.58 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 173.63 10.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.382 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 t -83.32 114.69 21.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -146.76 128.18 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.499 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -91.52 163.51 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -127.4 89.75 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.42 129.23 4.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 p -110.27 169.09 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -149.53 152.98 36.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -176.68 34.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.2 p -121.04 142.34 49.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 111.148 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.52 149.57 5.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 3.9 mm-40 -69.38 109.49 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.614 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -122.19 44.32 0.82 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.701 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.8 -14.26 35.71 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.301 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -83.72 82.96 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.86 152.2 28.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.6 t -72.47 107.79 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.51 -21.25 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.88 -68.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.18 -45.09 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.95 46.12 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -100.48 120.45 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.53 126.88 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 29.4 m-85 -118.44 145.83 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -68.21 -17.36 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.803 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -155.83 171.15 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -70.95 -40.31 72.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -49.3 -42.99 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -71.26 -39.83 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.529 HD11 ' CE1' ' A' ' 22' ' ' PHE . 8.3 tp -58.86 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.18 -65.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -35.97 -30.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.4 t60 -86.63 -52.71 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -45.98 -19.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 15.4 mmm-85 -59.88 -11.8 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.569 HD12 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -92.43 -1.99 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' HD12 ' A' ' 34' ' ' ILE . 60.4 m-70 -99.34 -17.74 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -89.18 -36.94 15.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.97 71.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -144.12 139.16 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -61.63 149.86 83.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 140.21 42.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.37 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -43.53 -57.98 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.8 -158.14 11.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.18 19.59 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.252 . . . . 0.0 112.318 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -151.8 110.73 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -83.3 91.65 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.472 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -103.69 144.71 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.1 p -123.63 -44.73 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.01 -56.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -148.76 124.61 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -69.87 -60.3 2.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.39 179.4 19.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 t -100.54 132.49 45.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 111.126 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.11 -149.9 7.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.509 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -124.98 111.6 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.605 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.6 44.33 1.27 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.568 0.699 . . . . 0.0 110.916 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.4 Cg_endo -69.78 -14.19 35.67 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.26 . . . . 0.0 112.303 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -86.4 33.21 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 157.98 36.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.2 t -79.37 106.43 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.2 -23.33 63.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.64 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -96.5 -44.31 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.78 44.31 1.05 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -99.56 119.39 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.322 . . . . 0.0 110.852 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.83 118.98 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 28' ' ' LEU . 11.9 m-85 -104.65 -178.08 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -97.32 -46.85 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.15 146.18 50.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -42.62 -40.99 2.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -56.25 -49.24 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -54.43 -41.95 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 22' ' ' PHE . 6.7 tp -58.72 -55.91 28.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.6 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' ALA . 52.4 ttm-85 -37.19 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ALA . 5.0 t60 -87.9 -53.15 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -45.48 -19.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 14.7 mmm180 -60.02 -11.12 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.521 HD13 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -92.21 -7.76 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CD2' HD13 ' A' ' 34' ' ' ILE . 60.4 m-70 -92.77 -27.08 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 t -77.27 -38.57 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.17 124.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -120.46 -41.61 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -79.2 153.98 77.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.86 4.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 p -142.58 162.61 35.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.19 -169.72 13.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.82 20.45 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.9 m -83.4 121.26 26.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -84.95 93.1 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.483 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -117.68 109.98 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -130.19 137.51 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.73 55.96 0.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -44.3 150.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -166.12 127.7 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.93 160.99 9.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -65.48 130.21 42.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.87 175.05 46.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.553 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 23.6 mt-10 -89.48 98.65 11.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.901 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -117.05 42.59 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.556 0.694 . . . . 0.0 110.866 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.73 -17.59 37.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -79.31 83.48 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.82 143.33 38.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.62 119.87 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -11.07 60.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.538 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 22.7 mt-10 -83.04 -64.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.54 -48.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.03 43.72 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 2.8 tmtm? -96.6 123.73 40.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 116.31 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE1' HD12 ' A' ' 28' ' ' LEU . 15.4 m-85 -105.01 173.54 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -104.72 -40.19 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -122.18 140.02 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.1 m -42.27 -40.73 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -58.3 -50.61 73.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -49.06 -44.57 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 ' CE1' ' A' ' 22' ' ' PHE . 7.9 tp -60.76 -60.84 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -48.7 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 27.6 mtm-85 -37.14 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.6 t60 -88.09 -50.56 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -48.77 -19.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 16.4 mmm-85 -58.13 -21.57 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -86.44 -9.92 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 12.0 m-70 -87.33 20.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.85 159.02 43.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.41 98.3 1.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -160.96 163.63 31.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -146.84 155.79 47.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.535 0.683 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 178.88 4.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.7 m -89.07 -67.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.39 151.63 48.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 107.01 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -91.22 -52.49 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 p -58.42 90.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.495 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.46 ' HA ' ' CE ' ' A' ' 27' ' ' LYS . 59.9 p -86.81 132.79 33.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p 45.7 43.47 9.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.52 96.7 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -67.18 131.86 46.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -105.12 90.19 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.68 -113.88 0.68 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -70.77 164.94 24.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.59 165.44 12.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -105.25 112.33 25.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.602 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -128.37 44.2 1.28 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.77 -15.89 37.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -80.45 82.31 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -104.93 149.83 25.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 19' ' ' GLY . 20.2 t -76.22 89.62 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -45.3 -31.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -54.55 -58.51 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -105.69 -46.32 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.73 45.3 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.595 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.9 tmtm? -102.58 117.59 35.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.02 119.56 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 18.7 m-85 -108.13 162.32 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -80.17 -42.68 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 25' ' ' THR . 6.4 tp60 -127.91 151.93 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m -48.35 -51.11 27.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -46.2 -50.56 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 2' ' ' SER . 30.1 mmtm -51.14 -51.04 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.6 -54.11 37.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.56 -60.02 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -40.46 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' ALA . 4.2 t60 -90.64 -50.95 5.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -46.63 -19.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' ' 31' ' ' HIS . 5.5 mmt85 -59.71 -13.61 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.478 HD13 ' N ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -92.07 -8.22 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' N ' HD13 ' A' ' 34' ' ' ILE . 39.8 m-70 -92.71 24.07 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -151.43 146.78 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.65 61.41 3.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.36 116.09 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 152.8 5.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 118.76 5.87 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.8 t -108.82 96.15 6.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.38 -152.72 49.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 172.49 12.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.8 t -127.18 135.33 50.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -126.9 164.73 20.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.527 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -133.85 141.54 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -112.56 129.09 56.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.83 -87.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -72.79 -49.05 33.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -44.2 142.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.29 174.28 22.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -85.94 140.37 30.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -173.23 144.08 7.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.528 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 71.0 mm-40 -35.82 107.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.64 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -118.75 42.17 0.42 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.719 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.75 -15.87 37.34 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -84.85 82.3 8.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 145.98 33.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -63.33 110.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.66 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -79.13 -67.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -90.71 -44.3 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.15 46.9 0.91 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 1.3 tmtm? -98.91 132.71 44.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -91.49 124.52 35.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.0 m-85 -117.04 155.95 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.8 t -66.92 -41.97 86.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.0 169.79 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 m -53.66 -43.13 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -48.85 -58.2 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -52.15 -46.24 65.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 HD11 ' CE1' ' A' ' 22' ' ' PHE . 7.2 tp -54.48 -58.96 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -50.56 -61.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -39.29 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 4.2 t60 -90.62 -48.23 7.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -51.08 -16.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -62.0 -20.86 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -87.75 -8.91 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.471 ' N ' HD11 ' A' ' 34' ' ' ILE . 24.6 m-70 -87.98 -26.84 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -83.57 -17.69 40.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.24 70.47 1.0 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -123.24 -48.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -101.83 155.52 36.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.82 153.71 68.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' PRO . 82.9 p -34.47 -49.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.99 -152.54 29.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.34 3.53 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 p -127.4 140.47 52.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.9 m -73.73 176.87 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.452 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -109.91 116.75 32.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 p -123.63 155.98 36.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.36 134.98 8.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -126.74 110.38 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m 43.92 40.48 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.38 -135.32 12.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.8 p -124.39 94.9 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.13 144.61 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -69.82 112.42 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.615 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.26 44.19 1.22 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.2 Cg_endo -69.74 -14.86 36.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -83.53 36.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.85 152.02 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.5 122.45 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -74.78 -12.19 60.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.74 -63.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -91.74 -49.02 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.23 37.89 1.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.9 tmtt? -90.69 120.24 31.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.88 125.34 33.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 28' ' ' LEU . 34.0 m-85 -118.3 -175.77 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.3 m -120.9 -27.36 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -119.89 121.44 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -45.38 -31.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.2 p -66.41 -46.7 75.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -42.21 86.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 22' ' ' PHE . 7.9 tp -56.04 -56.67 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.34 -61.56 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -38.34 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.3 t60 -86.28 -52.99 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -45.26 -19.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 31' ' ' HIS . 8.3 mmm180 -60.29 -10.13 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -93.09 -8.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 34' ' ' ILE . 55.3 m-70 -94.56 -20.32 19.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.8 t -83.4 168.24 16.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.76 42.59 2.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -109.62 154.64 22.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -104.45 153.6 38.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 86.29 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 p -101.06 153.63 19.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.45 164.63 38.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 85.46 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.272 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.8 p -96.93 125.52 41.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -105.31 164.57 11.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.492 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -116.14 -52.69 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -61.48 172.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.84 -79.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -75.97 152.0 37.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -163.17 134.35 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.81 -123.79 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.4 p -144.18 177.97 8.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.16 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.25 167.47 11.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.495 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 8.9 mm-40 -70.34 106.06 3.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -118.93 45.48 0.67 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.533 0.683 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.1 Cg_endo -69.77 -11.27 30.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -92.68 34.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -89.13 149.65 23.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -57.88 118.25 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.1 -21.96 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.6 -54.8 19.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.64 -45.44 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.95 47.85 0.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 3.0 tmtt? -109.24 120.87 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . . . -83.93 130.35 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 36.7 m-85 -114.75 -175.98 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.6 p -87.13 -53.08 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -128.21 164.49 22.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -52.72 -47.67 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -49.5 -46.63 48.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.67 -49.61 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tp -52.84 -54.73 30.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -51.45 -63.51 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 28.3 ttt180 -37.45 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.7 t60 -87.45 -51.78 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -47.17 -18.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 8.2 mmt180 -59.74 -14.35 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -92.4 -6.75 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.474 ' N ' HD12 ' A' ' 34' ' ' ILE . 34.9 m-70 -94.61 -28.37 15.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -72.74 134.25 44.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.83 104.75 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -120.73 -75.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.959 0.409 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -120.93 157.23 55.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 177.77 5.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.368 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -40.52 146.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.99 -150.92 6.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 94.35 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -80.18 144.49 32.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -132.96 98.53 4.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.511 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p -95.28 42.25 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -123.04 131.68 53.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.01 -153.35 7.38 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.1 p -58.07 107.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -163.68 160.11 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.88 -166.44 36.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -129.12 -44.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.51 -179.29 52.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -113.31 111.87 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.63 44.05 1.2 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.532 0.682 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.79 -13.34 34.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -84.88 35.12 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 154.93 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 19' ' ' GLY . 12.2 t -77.5 107.3 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -59.23 -27.69 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.41 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.35 -45.78 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 110.24 42.65 1.15 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.3 tmtm? -96.88 128.5 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.62 123.87 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 28' ' ' LEU . 4.4 m-85 -114.09 142.56 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -59.54 -51.05 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -122.68 155.77 35.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.8 m -50.98 -51.79 49.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 p -42.05 -42.95 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -63.13 -44.19 96.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.6 tp -54.12 -55.77 24.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.59 -60.84 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -40.08 -27.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' ARG . 3.4 t60 -88.63 -52.81 4.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -44.55 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' HIS . 11.8 mmm180 -60.3 -9.63 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -95.61 -7.57 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' HD11 ' A' ' 34' ' ' ILE . 40.1 m-70 -97.68 27.5 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -124.19 -36.06 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.45 49.75 1.02 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -120.01 175.75 5.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -75.39 159.77 81.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 159.89 51.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -92.8 45.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.81 128.7 0.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 113.38 3.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 t -120.5 81.29 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -102.49 98.64 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.506 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -125.61 147.23 49.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.888 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -156.52 167.92 28.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 -128.77 1.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 p -98.65 127.22 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -73.64 -63.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.51 -100.05 0.89 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 p -108.1 176.21 5.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.147 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.62 168.83 12.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -71.0 112.96 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.612 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -126.88 43.98 1.15 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.79 -15.37 36.94 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.254 . . . . 0.0 112.303 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.484 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 18.3 m-85 -88.65 83.92 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 154.54 20.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -68.78 122.86 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -75.55 -6.65 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -88.79 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 p -91.15 -46.93 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.98 40.68 0.96 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.7 tmtt? -91.83 127.29 37.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.27 118.53 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 28' ' ' LEU . 22.5 m-85 -106.61 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.3 t -101.96 -37.0 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -131.66 145.05 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.2 m -46.09 -40.75 11.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -55.86 -47.88 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -56.41 -46.62 80.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 22' ' ' PHE . 8.2 tp -53.67 -55.41 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.25 -60.93 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -39.65 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 29' ' ' ALA . 4.2 t60 -91.82 -49.91 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -48.76 -18.12 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -60.47 -16.42 36.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.481 HD12 ' N ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -89.63 -9.85 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 34' ' ' ILE . 28.3 m-70 -89.1 -12.27 41.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -103.24 -15.02 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.32 41.4 26.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -82.86 92.37 7.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -151.34 152.4 30.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.551 0.691 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -36.24 11.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -126.17 -60.76 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.92 -116.97 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.76 3.31 2.84 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' PRO . 11.7 m -33.74 -59.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.9 m -100.96 172.31 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.468 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -66.57 171.81 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -137.57 144.55 42.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.807 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.5 65.76 0.78 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -113.32 94.97 5.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 m -159.2 170.86 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.19 170.1 15.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -154.28 128.34 8.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 111.12 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.17 131.66 6.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.545 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 68.0 mt-10 -49.52 106.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -116.73 44.01 0.42 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.76 -11.22 30.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -85.07 78.61 9.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 3.7 ptmt -101.27 177.95 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 17' ' ' GLU . 5.2 t -98.55 69.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.7 m-80 -31.77 -36.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . 21.3 mt-10 -47.6 -51.5 21.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -110.89 -39.34 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' C ' ' HE2' ' A' ' 14' ' ' LYS . . . 108.85 43.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -107.56 129.76 54.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.48 133.92 36.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.455 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 8.8 m-85 -120.72 157.05 30.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -61.53 -39.68 91.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -148.78 172.19 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.1 m -51.5 -57.21 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.2 t -40.69 -56.4 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -51.67 -44.14 62.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 5.2 tp -60.69 -56.38 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.29 -61.31 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -37.86 -28.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.5 t60 -88.34 -51.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -45.33 -19.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' HIS . 7.1 mmm180 -59.88 -11.55 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -93.81 -9.44 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CD2' HD13 ' A' ' 34' ' ' ILE . 51.1 m-70 -93.11 6.62 47.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 t -95.51 -37.69 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.99 -58.45 0.61 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -76.25 131.44 39.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -125.91 156.27 71.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.48 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.733 2.288 . . . . 0.0 112.314 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.9 t -164.97 132.42 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.78 122.8 4.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 133.33 25.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.233 . . . . 0.0 112.35 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.0 p -75.98 122.64 24.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -48.69 123.33 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.508 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -149.68 149.79 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -168.17 127.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.31 -174.88 29.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -102.26 145.09 29.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -79.19 -53.74 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.24 177.26 14.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -134.06 117.05 16.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.148 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.22 175.52 36.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 12.1 mm-40 -70.17 110.98 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -124.51 44.35 1.03 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.893 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.76 -15.15 36.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.456 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 30.0 m-85 -89.53 36.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -75.54 160.46 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.89 107.93 10.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -64.02 -17.75 63.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.51 -62.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.31 -45.74 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 114.29 38.13 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 1.8 tmtm? -87.63 119.92 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 118.89 25.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 28' ' ' LEU . 28.2 m-85 -108.14 -176.22 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -109.66 -15.35 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -154.75 160.98 41.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -58.71 -43.94 90.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -52.88 -52.03 58.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -55.23 -47.78 74.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 22' ' ' PHE . 6.6 tp -53.15 -54.52 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.3 -61.48 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -38.5 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' ARG . 3.3 t60 -88.78 -53.94 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -43.85 -19.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.8 mmm-85 -59.04 -11.62 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.544 ' CD1' ' C ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -95.5 2.55 9.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CG ' HD12 ' A' ' 34' ' ' ILE . 43.9 m-70 -101.6 -11.5 19.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.8 t -93.51 -38.47 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.93 130.8 6.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -116.95 -33.04 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -163.85 152.8 11.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.708 . . . . 0.0 110.857 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 113.7 3.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -118.06 176.41 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.93 160.23 25.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 120.33 7.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -94.95 -59.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 t -48.44 132.65 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -100.8 87.52 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t 41.43 42.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.32 -135.71 13.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t 58.11 40.02 25.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.373 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -111.32 93.68 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.97 151.26 22.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -128.78 35.07 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.39 165.3 38.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.96 112.06 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.93 43.89 1.18 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.698 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.2 Cg_endo -69.75 -17.18 37.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.387 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -82.81 78.5 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HZ1' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -109.2 -177.72 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 5.3 t -98.35 107.62 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.82 7.88 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 15' ' ' CYS . 21.9 mt-10 -99.38 -31.45 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -129.72 -28.37 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.516 ' C ' ' CE ' ' A' ' 14' ' ' LYS . . . 94.6 39.43 4.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.459 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.16 130.0 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' N ' ' HZ1' ' A' ' 14' ' ' LYS . . . -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.3 m-85 -117.28 172.29 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.6 m -85.49 -38.38 18.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -140.62 160.24 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.5 m -48.59 -49.72 35.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -47.54 -53.12 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -52.34 -43.62 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.43 -61.16 2.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.06 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -37.77 -27.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.8 t60 -89.89 -48.92 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -49.29 -17.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 9.2 mmm180 -59.92 -18.56 45.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.549 HD13 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -88.22 -2.75 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CD2' HD13 ' A' ' 34' ' ' ILE . 42.2 m-70 -99.03 -33.5 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 t -65.15 142.46 58.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.55 105.68 2.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -108.12 -36.52 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -98.02 155.94 36.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.75 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.379 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' PRO . 26.0 t -37.43 -61.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.63 -168.66 33.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.37 3.61 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -145.25 152.03 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.7 m -76.53 82.06 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.509 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -86.83 146.95 26.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -87.75 161.36 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.01 99.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -85.96 41.61 0.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -66.59 137.48 56.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.1 36.5 0.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 t -171.64 159.96 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.73 -160.2 16.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 2.4 mp0 -102.78 111.19 23.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.406 . . . . 0.0 110.877 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.43 44.17 1.22 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.896 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.81 -15.33 36.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -85.12 34.14 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 151.75 38.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.0 t -71.65 104.77 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -66.69 -70.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.08 -41.77 11.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.63 44.4 1.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 1.4 tmtm? -98.03 126.98 43.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -87.61 128.51 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 31.5 m-85 -123.88 122.49 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -65.8 -14.33 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -131.72 133.58 44.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -56.19 -37.17 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.3 t -63.16 -39.76 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 2.7 mptt -61.25 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 22' ' ' PHE . 5.4 tp -57.73 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.02 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -45.85 -23.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -92.74 -48.11 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -49.61 -18.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -58.96 -21.04 57.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.48 HD12 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -88.55 2.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' HD12 ' A' ' 34' ' ' ILE . 30.4 m-70 -101.97 -32.33 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.9 -10.82 6.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.41 93.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -105.74 -45.71 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.904 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -157.41 168.07 13.22 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 -21.32 33.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 t -63.77 107.97 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.9 -164.59 35.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m 50.89 38.43 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 t 41.68 41.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.482 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -91.67 133.29 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 m -41.37 140.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.13 39.46 2.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 m -138.84 120.96 15.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -136.31 119.92 17.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.18 101.02 1.95 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.7 p -136.55 134.61 37.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.02 165.81 13.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.66 111.23 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.603 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -126.87 44.25 1.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.8 -11.87 31.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.49 80.96 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.51 140.81 42.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -61.93 106.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -63.28 -21.57 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.44 -65.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -94.57 -46.99 6.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.97 45.8 0.68 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.4 tmtm? -98.43 126.9 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.16 125.97 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.051 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 28' ' ' LEU . 19.3 m-85 -118.5 153.2 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.3 p -79.59 -31.53 41.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -137.55 157.25 46.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.2 m -56.94 -57.1 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 t -40.0 -37.93 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -67.15 -51.43 53.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 22' ' ' PHE . 6.9 tp -52.37 -53.75 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.28 -60.39 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -39.73 -25.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.7 t60 -92.17 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -48.98 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -58.34 -21.0 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -89.28 -10.49 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' N ' HD11 ' A' ' 34' ' ' ILE . 6.8 m-70 -86.26 -26.68 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.3 t -81.89 -47.96 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.18 -54.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -96.42 158.27 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 1.1 pttm -147.82 168.34 11.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 54.6 Cg_endo -69.73 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.381 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t 75.05 51.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.76 158.04 22.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 161.28 46.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.2 p -104.45 158.25 16.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 m -130.87 41.04 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.466 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -67.1 -62.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -72.22 143.79 48.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.24 -71.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -82.63 45.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -116.09 127.51 54.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.36 91.72 0.65 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 p -130.24 106.82 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.125 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.08 -158.63 26.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 9.2 mp0 -93.31 101.99 14.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.398 . . . . 0.0 110.854 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -117.0 42.52 0.37 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.4 Cg_endo -69.7 -14.92 36.97 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -84.1 36.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 155.83 39.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.5 122.03 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -75.74 -7.94 55.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -87.08 -66.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.0 p -91.42 -46.06 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.46 43.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.2 tmtm? -95.5 128.85 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.92 117.4 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 11.8 m-85 -107.82 170.04 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -79.39 -60.58 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -117.64 154.72 31.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -43.37 -50.08 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -45.56 -43.18 11.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 31.6 mmtm -59.99 -44.36 94.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' A' ' 22' ' ' PHE . 10.5 tp -56.26 -59.93 4.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.14 -62.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 12.4 tpt180 -39.07 -26.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' ALA . 3.9 t60 -90.53 -50.55 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -46.94 -18.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 31' ' ' HIS . 10.3 mmm180 -59.71 -13.73 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.56 HD13 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -92.09 -0.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CD2' HD13 ' A' ' 34' ' ' ILE . 55.9 m-70 -100.22 -25.59 14.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 t -78.25 -22.47 48.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.64 -22.76 38.4 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -85.46 131.73 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.3 OUTLIER -151.65 168.13 11.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.586 0.708 . . . . 0.0 110.943 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.77 -44.54 2.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 p -88.62 87.47 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.39 145.22 2.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 169.32 19.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.307 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -121.62 -51.23 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -172.54 172.8 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.465 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -68.69 83.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -71.15 168.97 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.95 155.63 8.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -147.3 149.71 33.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -123.94 87.9 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.99 -158.09 34.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -156.67 145.87 20.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.52 -165.34 37.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -116.6 111.05 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -125.16 44.07 1.03 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.697 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.7 -15.69 37.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -85.33 33.62 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 148.54 30.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.71 108.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -26.64 68.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.81 -66.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.66 -46.51 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.19 44.92 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.1 tmtm? -94.33 131.59 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.97 121.34 36.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 28' ' ' LEU . 14.9 m-85 -113.82 155.89 24.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.5 m -75.54 -50.05 16.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -126.28 155.51 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -50.06 -39.59 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -53.59 -37.33 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -43.18 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 HD12 ' CE1' ' A' ' 22' ' ' PHE . 7.0 tp -58.06 -61.64 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -44.34 -62.14 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ALA . 33.8 ttt-85 -35.58 -36.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' O ' ' CG1' ' A' ' 34' ' ' ILE . 8.5 t60 -86.5 -40.11 15.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.3 mt-30 -52.86 -21.59 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 2.4 mmt180 -95.29 17.6 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 31' ' ' HIS . 1.5 pp -105.32 -31.56 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' N ' HG13 ' A' ' 34' ' ' ILE . 72.9 m-70 -56.23 -33.79 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.0 -43.46 29.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.71 -35.11 0.23 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -74.72 -174.69 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.99 0.424 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.68 153.53 2.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.95 20.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.6 p -78.13 46.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.07 126.49 3.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -11.88 31.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.293 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -55.9 -62.48 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.3 m -131.64 176.94 7.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -74.14 171.91 12.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -63.77 94.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.56 75.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -70.58 -49.16 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 p -118.88 141.35 48.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.89 99.38 0.57 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.9 p -134.5 164.8 26.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.818 0.342 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.79 168.77 43.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 46.8 mt-10 -45.2 110.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.694 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -122.21 38.34 0.35 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.72 -27.83 26.16 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -75.74 83.63 2.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -107.83 150.36 27.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -68.12 108.96 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -64.13 -18.66 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.64 -67.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -93.89 -49.49 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 119.71 40.74 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.3 tmtt? -90.58 129.57 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.84 118.03 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 28' ' ' LEU . 11.1 m-85 -109.62 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -97.95 -49.95 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -118.4 146.7 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -45.86 -40.96 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -55.11 -44.11 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -46.44 88.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 22' ' ' PHE . 7.4 tp -53.85 -54.61 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.08 -63.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 26.4 ttt180 -37.3 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' ALA . 4.0 t60 -87.86 -52.39 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -46.55 -18.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 13.7 mmm-85 -60.03 -12.83 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -93.47 -5.94 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CD2' HD13 ' A' ' 34' ' ' ILE . 41.7 m-70 -95.25 -27.23 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.452 HG21 ' N ' ' A' ' 37' ' ' GLY . 5.6 t -71.72 -46.24 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' N ' HG21 ' A' ' 36' ' ' THR . . . 111.99 76.39 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -110.23 -61.57 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 152.58 93.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.236 . . . . 0.0 112.327 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -154.34 155.71 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.57 -121.55 1.03 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -48.1 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.2 p -109.94 91.25 3.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 t -142.37 116.32 9.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.485 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -86.7 161.23 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.815 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -136.49 123.23 21.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.62 137.38 8.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -135.49 159.28 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -158.67 124.18 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.35 -178.45 52.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -115.71 -6.7 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.348 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.92 -155.51 25.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 6.1 mt-10 -103.33 99.22 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -117.21 45.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.905 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.8 -20.41 34.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -76.94 84.18 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -110.06 162.56 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.52 115.8 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.52 -9.76 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.63 -59.93 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -100.49 -43.1 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 112.01 30.88 2.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 5.7 tmtt? -81.01 123.36 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.38 121.54 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 15.4 m-85 -112.26 162.89 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -75.03 -52.66 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -124.22 168.77 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 m -58.81 -52.94 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -44.53 -40.81 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -63.46 -49.78 72.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.43 HD11 ' CE1' ' A' ' 22' ' ' PHE . 5.5 tp -55.72 -62.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -42.41 -60.71 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.031 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -37.88 -35.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.449 ' HA ' ' CG2' ' A' ' 34' ' ' ILE . 7.8 t60 -87.06 -34.47 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' ALA . 20.9 mt-30 -58.68 -16.5 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.28 5.47 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 1.3 pp -93.27 -32.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' N ' HG13 ' A' ' 34' ' ' ILE . 69.4 m-70 -52.24 -42.69 63.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.99 -48.6 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.67 44.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.89 -67.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -69.05 153.96 95.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.2 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 m -42.93 127.23 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.69 -115.67 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.75 1.39 4.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.357 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 43' ' ' PRO . 59.9 p -34.24 122.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 p 44.16 49.52 7.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.483 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -70.03 161.28 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -121.33 131.34 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.55 175.86 14.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -39.16 -62.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -48.61 152.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.57 -96.34 0.22 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.8 p -96.33 -50.4 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.03 -167.8 6.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 22.2 mt-10 -75.66 109.78 9.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.609 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -124.72 44.33 1.05 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.552 0.691 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -13.52 34.82 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.42 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 37.6 m-85 -90.79 31.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 138.62 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.95 118.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.34 -22.48 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.72 -58.63 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -101.17 -47.32 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.46 44.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -104.19 124.12 48.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.78 128.47 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CE1' HD11 ' A' ' 28' ' ' LEU . 9.5 m-85 -114.1 176.45 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -86.44 -46.39 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -129.23 167.76 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -57.22 -44.85 84.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -50.49 -51.23 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -54.74 -45.3 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD11 ' CE1' ' A' ' 22' ' ' PHE . 7.9 tp -55.07 -55.4 31.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.99 -61.22 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 19.1 ttp180 -37.62 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' ALA . 4.4 t60 -87.68 -51.39 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -46.16 -18.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 31' ' ' HIS . 13.8 mmm-85 -59.88 -12.13 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.536 HD11 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -94.45 -0.08 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CD2' HD11 ' A' ' 34' ' ' ILE . 46.2 m-70 -101.93 25.29 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.7 t -140.87 129.37 22.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.55 125.56 8.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.85 -47.76 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -129.59 167.97 18.17 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.77 -12.64 33.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.4 m -58.82 135.31 57.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.18 111.25 1.09 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -6.24 18.09 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -37.86 135.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -147.49 135.33 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.556 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.79 0.328 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.36 109.79 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.89 -13.52 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -79.52 -65.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -93.34 -46.59 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.472 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 113.79 45.19 0.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -99.67 130.17 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.51 121.43 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 2.7 m-85 -109.0 171.47 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -79.76 -39.05 31.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -136.64 -179.39 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -72.69 -46.61 52.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -49.07 -38.87 25.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -66.58 -45.53 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -54.38 -54.61 38.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 31' ' ' HIS . . . -53.27 -58.58 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -44.39 -22.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.888 ' O ' HD12 ' A' ' 34' ' ' ILE . 5.0 t60 -94.16 -46.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -51.03 -17.17 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -61.54 -27.24 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.888 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.6 t -72.47 107.79 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.51 -21.25 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.88 -68.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.18 -45.09 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.95 46.12 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -100.48 120.45 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.53 126.88 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 29.4 m-85 -118.44 145.83 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -68.21 -17.36 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.803 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -155.83 171.15 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -70.95 -40.31 72.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -49.3 -42.99 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -71.26 -39.83 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.86 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.18 -65.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -35.97 -30.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.932 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.4 t60 -86.63 -52.71 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -45.98 -19.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 15.4 mmm-85 -59.88 -11.8 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.932 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.2 t -79.37 106.43 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.2 -23.33 63.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.64 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -96.5 -44.31 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.78 44.31 1.05 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -99.56 119.39 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.322 . . . . 0.0 110.852 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.83 118.98 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 11.9 m-85 -104.65 -178.08 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -97.32 -46.85 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.15 146.18 50.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -42.62 -40.99 2.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -56.25 -49.24 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -54.43 -41.95 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.72 -55.91 28.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.6 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' ALA . 52.4 ttm-85 -37.19 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.949 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.0 t60 -87.9 -53.15 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -45.48 -19.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 14.7 mmm180 -60.02 -11.12 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.62 119.87 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -11.07 60.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -83.04 -64.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.54 -48.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.03 43.72 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 2.8 tmtm? -96.6 123.73 40.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 116.31 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 15.4 m-85 -105.01 173.54 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -104.72 -40.19 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -122.18 140.02 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.1 m -42.27 -40.73 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -58.3 -50.61 73.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -49.06 -44.57 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . 7.9 tp -60.76 -60.84 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -48.7 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 27.6 mtm-85 -37.14 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.779 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 t60 -88.09 -50.56 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -48.77 -19.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 16.4 mmm-85 -58.13 -21.57 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 19' ' ' GLY . 20.2 t -76.22 89.62 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -45.3 -31.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -54.55 -58.51 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -105.69 -46.32 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.73 45.3 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.595 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.9 tmtm? -102.58 117.59 35.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.02 119.56 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 18.7 m-85 -108.13 162.32 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -80.17 -42.68 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 25' ' ' THR . 6.4 tp60 -127.91 151.93 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m -48.35 -51.11 27.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -46.2 -50.56 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -51.14 -51.04 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.6 -54.11 37.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.56 -60.02 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -40.46 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.2 t60 -90.64 -50.95 5.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -46.63 -19.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' ' 31' ' ' HIS . 5.5 mmt85 -59.71 -13.61 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -63.33 110.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.66 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -79.13 -67.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -90.71 -44.3 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.15 46.9 0.91 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 1.3 tmtm? -98.91 132.71 44.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -91.49 124.52 35.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.0 m-85 -117.04 155.95 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.8 t -66.92 -41.97 86.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.0 169.79 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 m -53.66 -43.13 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -48.85 -58.2 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -52.15 -46.24 65.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tp -54.48 -58.96 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -50.56 -61.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 30.1 ttt180 -39.29 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.81 ' O ' HD12 ' A' ' 34' ' ' ILE . 4.2 t60 -90.62 -48.23 7.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -51.08 -16.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 8.9 mmm180 -62.0 -20.86 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.5 122.45 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -12.19 60.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.74 -63.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -91.74 -49.02 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.23 37.89 1.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.9 tmtt? -90.69 120.24 31.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.88 125.34 33.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.0 m-85 -118.3 -175.77 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.3 m -120.9 -27.36 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -119.89 121.44 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -45.38 -31.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.2 p -66.41 -46.7 75.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -42.21 86.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.04 -56.67 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.34 -61.56 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -38.34 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.97 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.3 t60 -86.28 -52.99 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -45.26 -19.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 31' ' ' HIS . 8.3 mmm180 -60.29 -10.13 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.97 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' CB ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' HD13 ' A' ' 28' ' ' LEU . 3.2 t -57.88 118.25 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.1 -21.96 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.6 -54.8 19.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.64 -45.44 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.95 47.85 0.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 3.0 tmtt? -109.24 120.87 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . . . -83.93 130.35 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 36.7 m-85 -114.75 -175.98 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.6 p -87.13 -53.08 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -128.21 164.49 22.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -52.72 -47.67 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -49.5 -46.63 48.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.67 -49.61 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 15' ' ' CYS . 9.1 tp -52.84 -54.73 30.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -51.45 -63.51 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 28.3 ttt180 -37.45 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.882 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.7 t60 -87.45 -51.78 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -47.17 -18.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 8.2 mmt180 -59.74 -14.35 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.331 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 19' ' ' GLY . 12.2 t -77.5 107.3 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -59.23 -27.69 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.41 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.35 -45.78 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 110.24 42.65 1.15 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.3 tmtm? -96.88 128.5 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.62 123.87 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 4.4 m-85 -114.09 142.56 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -59.54 -51.05 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -122.68 155.77 35.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.8 m -50.98 -51.79 49.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 p -42.05 -42.95 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -63.13 -44.19 96.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.12 -55.77 24.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.59 -60.84 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -40.08 -27.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.4 t60 -88.63 -52.81 4.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -44.55 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' HIS . 11.8 mmm180 -60.3 -9.63 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.92 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -68.78 122.86 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -75.55 -6.65 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -88.79 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 p -91.15 -46.93 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.98 40.68 0.96 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.7 tmtt? -91.83 127.29 37.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.27 118.53 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 22.5 m-85 -106.61 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.3 t -101.96 -37.0 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -131.66 145.05 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.2 m -46.09 -40.75 11.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -55.86 -47.88 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -56.41 -46.62 80.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.67 -55.41 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.25 -60.93 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 15.6 ttm180 -39.65 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.862 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.2 t60 -91.82 -49.91 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -48.76 -18.12 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 9.2 mmm180 -60.47 -16.42 36.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.862 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 3.7 ptmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 17' ' ' GLU . 5.2 t -98.55 69.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.7 m-80 -31.77 -36.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . 21.3 mt-10 -47.6 -51.5 21.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -110.89 -39.34 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' C ' ' HE2' ' A' ' 14' ' ' LYS . . . 108.85 43.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -107.56 129.76 54.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -93.48 133.92 36.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 8.8 m-85 -120.72 157.05 30.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -61.53 -39.68 91.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -148.78 172.19 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.1 m -51.5 -57.21 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.2 t -40.69 -56.4 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -51.67 -44.14 62.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 5.2 tp -60.69 -56.38 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.29 -61.31 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -37.86 -28.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.921 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.5 t60 -88.34 -51.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -45.33 -19.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' HIS . 7.1 mmm180 -59.88 -11.55 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.921 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.89 107.93 10.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -64.02 -17.75 63.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.51 -62.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.31 -45.74 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.462 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 114.29 38.13 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 1.8 tmtm? -87.63 119.92 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 118.89 25.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 28.2 m-85 -108.14 -176.22 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -109.66 -15.35 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -154.75 160.98 41.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -58.71 -43.94 90.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -52.88 -52.03 58.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -55.23 -47.78 74.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tp -53.15 -54.52 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.3 -61.48 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 15.8 ttm180 -38.5 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.988 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.3 t60 -88.78 -53.94 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -43.85 -19.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.8 mmm-85 -59.04 -11.62 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.988 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.6 ' HZ2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 5.3 t -98.35 107.62 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.82 7.88 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -99.38 -31.45 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -129.72 -28.37 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.516 ' C ' ' CE ' ' A' ' 14' ' ' LYS . . . 94.6 39.43 4.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.459 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.16 130.0 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.3 m-85 -117.28 172.29 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.6 m -85.49 -38.38 18.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -140.62 160.24 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.5 m -48.59 -49.72 35.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -47.54 -53.12 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -52.34 -43.62 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . 9.6 tp -59.43 -61.16 2.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.06 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -37.77 -27.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.817 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.8 t60 -89.89 -48.92 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -49.29 -17.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 9.2 mmm180 -59.92 -18.56 45.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.817 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.0 t -71.65 104.77 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -66.69 -70.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.08 -41.77 11.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.63 44.4 1.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 1.4 tmtm? -98.03 126.98 43.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -87.61 128.51 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 31.5 m-85 -123.88 122.49 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -65.8 -14.33 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -131.72 133.58 44.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -56.19 -37.17 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.3 t -63.16 -39.76 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 2.7 mptt -61.25 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 tp -57.73 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.02 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -45.85 -23.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.806 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 t60 -92.74 -48.11 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -49.61 -18.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -58.96 -21.04 57.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -61.93 106.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -63.28 -21.57 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.44 -65.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -94.57 -46.99 6.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.97 45.8 0.68 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.4 tmtm? -98.43 126.9 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.16 125.97 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.051 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 19.3 m-85 -118.5 153.2 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.3 p -79.59 -31.53 41.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -137.55 157.25 46.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.2 m -56.94 -57.1 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 t -40.0 -37.93 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -67.15 -51.43 53.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -52.37 -53.75 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.28 -60.39 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -39.73 -25.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.776 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.7 t60 -92.17 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -48.98 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -58.34 -21.0 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.5 122.03 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -7.94 55.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -87.08 -66.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.0 p -91.42 -46.06 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.46 43.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.2 tmtm? -95.5 128.85 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.92 117.4 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 11.8 m-85 -107.82 170.04 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -79.39 -60.58 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -117.64 154.72 31.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -43.37 -50.08 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -45.56 -43.18 11.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 31.6 mmtm -59.99 -44.36 94.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.26 -59.93 4.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.14 -62.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 12.4 tpt180 -39.07 -26.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.891 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.9 t60 -90.53 -50.55 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -46.94 -18.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 10.3 mmm180 -59.71 -13.73 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.71 108.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -26.64 68.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.81 -66.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.66 -46.51 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.19 44.92 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.1 tmtm? -94.33 131.59 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -94.97 121.34 36.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 14.9 m-85 -113.82 155.89 24.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.5 m -75.54 -50.05 16.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -126.28 155.51 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -50.06 -39.59 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -53.59 -37.33 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -43.18 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.06 -61.64 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -44.34 -62.14 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ALA . 33.8 ttt-85 -35.58 -36.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.521 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.5 t60 -86.5 -40.11 15.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.3 mt-30 -52.86 -21.59 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 2.4 mmt180 -95.29 17.6 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.5 pp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.363 . . . . 0.0 110.868 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -68.12 108.96 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -64.13 -18.66 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.64 -67.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -93.89 -49.49 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 119.71 40.74 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.3 tmtt? -90.58 129.57 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.84 118.03 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 11.1 m-85 -109.62 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -97.95 -49.95 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -118.4 146.7 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -45.86 -40.96 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -55.11 -44.11 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -46.44 88.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -53.85 -54.61 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.08 -63.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 26.4 ttt180 -37.3 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.898 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.0 t60 -87.86 -52.39 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -46.55 -18.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.438 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 13.7 mmm-85 -60.03 -12.83 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.52 115.8 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.52 -9.76 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.63 -59.93 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -100.49 -43.1 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 112.01 30.88 2.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 5.7 tmtt? -81.01 123.36 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.38 121.54 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 15.4 m-85 -112.26 162.89 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -75.03 -52.66 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -124.22 168.77 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 m -58.81 -52.94 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -44.53 -40.81 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -63.46 -49.78 72.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.72 -62.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -42.41 -60.71 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.031 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -37.88 -35.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' HA ' HG23 ' A' ' 34' ' ' ILE . 7.8 t60 -87.06 -34.47 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' ALA . 20.9 mt-30 -58.68 -16.5 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.28 5.47 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.563 HG23 ' HA ' ' A' ' 31' ' ' HIS . 1.3 pp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.792 0.329 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.95 118.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.34 -22.48 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.72 -58.63 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -101.17 -47.32 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.46 44.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -104.19 124.12 48.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.78 128.47 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -114.1 176.45 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -86.44 -46.39 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -129.23 167.76 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -57.22 -44.85 84.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -50.49 -51.23 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -54.74 -45.3 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tp -55.07 -55.4 31.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.99 -61.22 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 19.1 ttp180 -37.62 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.4 t60 -87.68 -51.39 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -46.16 -18.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 13.8 mmm-85 -59.88 -12.13 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -88.25 138.68 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 m -67.01 100.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.05 174.49 14.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -105.34 101.39 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -130.65 91.99 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 -142.87 3.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.2 p -116.82 154.31 30.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.26 -139.78 6.9 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.548 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 29.8 mt-10 -127.04 103.36 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -119.48 46.93 0.88 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.699 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.1 Cg_endo -69.79 -12.57 33.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.246 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -91.03 33.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -76.07 150.88 37.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.36 109.79 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.89 -13.52 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -79.52 -65.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -93.34 -46.59 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.472 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 113.79 45.19 0.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -99.67 130.17 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.51 121.43 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 2.7 m-85 -109.0 171.47 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -79.76 -39.05 31.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -136.64 -179.39 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -72.69 -46.61 52.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -49.07 -38.87 25.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -66.58 -45.53 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -54.38 -54.61 38.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 31' ' ' HIS . . . -53.27 -58.58 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -44.39 -22.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.888 ' O ' HD12 ' A' ' 34' ' ' ILE . 5.0 t60 -94.16 -46.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -51.03 -17.17 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.764 ' O ' HG22 ' A' ' 36' ' ' THR . 14.4 mmm-85 -61.54 -27.24 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.888 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -79.23 -6.18 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.816 ' N ' HD13 ' A' ' 34' ' ' ILE . 30.1 m-70 -96.26 -26.87 15.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 33' ' ' ARG . 9.7 t -69.62 -9.59 54.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.75 23.99 77.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 36' ' ' THR . 18.1 tt0 -86.7 -53.39 4.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -61.03 153.23 67.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.597 0.713 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 105.5 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 t -58.91 160.94 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.7 -100.66 0.58 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 173.63 10.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.382 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 t -83.32 114.69 21.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -146.76 128.18 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.499 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -91.52 163.51 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -127.4 89.75 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.42 129.23 4.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 p -110.27 169.09 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -149.53 152.98 36.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -176.68 34.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.2 p -121.04 142.34 49.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 111.148 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.52 149.57 5.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 3.9 mm-40 -69.38 109.49 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.614 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -122.19 44.32 0.82 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.701 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.8 -14.26 35.71 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.301 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -83.72 82.96 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.86 152.2 28.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.6 t -72.47 107.79 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.51 -21.25 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.88 -68.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.18 -45.09 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.95 46.12 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -100.48 120.45 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.53 126.88 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 29.4 m-85 -118.44 145.83 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -68.21 -17.36 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.803 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -155.83 171.15 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -70.95 -40.31 72.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -49.3 -42.99 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -71.26 -39.83 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.86 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.18 -65.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -35.97 -30.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.932 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.4 t60 -86.63 -52.71 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -45.98 -19.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 15.4 mmm-85 -59.88 -11.8 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.932 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -92.43 -1.99 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.622 ' N ' HD13 ' A' ' 34' ' ' ILE . 60.4 m-70 -99.34 -17.74 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -89.18 -36.94 15.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.97 71.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -144.12 139.16 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -61.63 149.86 83.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 140.21 42.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.37 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -43.53 -57.98 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.8 -158.14 11.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.18 19.59 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.252 . . . . 0.0 112.318 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -151.8 110.73 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -83.3 91.65 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.472 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -103.69 144.71 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.1 p -123.63 -44.73 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.01 -56.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -148.76 124.61 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -69.87 -60.3 2.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.39 179.4 19.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 t -100.54 132.49 45.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 111.126 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.11 -149.9 7.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.509 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -124.98 111.6 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.605 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.6 44.33 1.27 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.568 0.699 . . . . 0.0 110.916 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.4 Cg_endo -69.78 -14.19 35.67 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.26 . . . . 0.0 112.303 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -86.4 33.21 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -70.44 157.98 36.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.2 t -79.37 106.43 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.2 -23.33 63.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.64 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -96.5 -44.31 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.78 44.31 1.05 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -99.56 119.39 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.322 . . . . 0.0 110.852 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -84.83 118.98 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 11.9 m-85 -104.65 -178.08 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -97.32 -46.85 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.15 146.18 50.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -42.62 -40.99 2.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -56.25 -49.24 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -54.43 -41.95 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.72 -55.91 28.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.6 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' ALA . 52.4 ttm-85 -37.19 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.949 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.0 t60 -87.9 -53.15 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -45.48 -19.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 14.7 mmm180 -60.02 -11.12 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -92.21 -7.76 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.61 ' N ' HD13 ' A' ' 34' ' ' ILE . 60.4 m-70 -92.77 -27.08 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 t -77.27 -38.57 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.17 124.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -120.46 -41.61 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -79.2 153.98 77.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.86 4.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 p -142.58 162.61 35.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.19 -169.72 13.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.82 20.45 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.9 m -83.4 121.26 26.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -84.95 93.1 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.483 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -117.68 109.98 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -130.19 137.51 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.73 55.96 0.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -44.3 150.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -166.12 127.7 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.93 160.99 9.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -65.48 130.21 42.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.87 175.05 46.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.553 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 23.6 mt-10 -89.48 98.65 11.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.901 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -117.05 42.59 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.556 0.694 . . . . 0.0 110.866 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.73 -17.59 37.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -79.31 83.48 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.82 143.33 38.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.62 119.87 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -11.07 60.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.538 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 22.7 mt-10 -83.04 -64.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.54 -48.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.03 43.72 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 2.8 tmtm? -96.6 123.73 40.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 116.31 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 15.4 m-85 -105.01 173.54 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -104.72 -40.19 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -122.18 140.02 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.1 m -42.27 -40.73 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -58.3 -50.61 73.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -49.06 -44.57 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . 7.9 tp -60.76 -60.84 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -48.7 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 27.6 mtm-85 -37.14 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.779 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 t60 -88.09 -50.56 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -48.77 -19.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 16.4 mmm-85 -58.13 -21.57 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -86.44 -9.92 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.694 ' N ' HD13 ' A' ' 34' ' ' ILE . 12.0 m-70 -87.33 20.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.85 159.02 43.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.41 98.3 1.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -160.96 163.63 31.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -146.84 155.79 47.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.535 0.683 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 178.88 4.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.7 m -89.07 -67.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.39 151.63 48.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 107.01 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -91.22 -52.49 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 p -58.42 90.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.495 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.467 ' HA ' ' CE ' ' A' ' 27' ' ' LYS . 59.9 p -86.81 132.79 33.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p 45.7 43.47 9.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.52 96.7 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -67.18 131.86 46.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -105.12 90.19 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.68 -113.88 0.68 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -70.77 164.94 24.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.59 165.44 12.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -105.25 112.33 25.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.602 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -128.37 44.2 1.28 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.77 -15.89 37.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -80.45 82.31 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -104.93 149.83 25.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 19' ' ' GLY . 20.2 t -76.22 89.62 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -45.3 -31.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -54.55 -58.51 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -105.69 -46.32 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.73 45.3 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.595 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.9 tmtm? -102.58 117.59 35.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.02 119.56 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 18.7 m-85 -108.13 162.32 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -80.17 -42.68 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 25' ' ' THR . 6.4 tp60 -127.91 151.93 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m -48.35 -51.11 27.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -46.2 -50.56 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 2' ' ' SER . 30.1 mmtm -51.14 -51.04 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.6 -54.11 37.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.56 -60.02 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -40.46 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.2 t60 -90.64 -50.95 5.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -46.63 -19.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' ' 31' ' ' HIS . 5.5 mmt85 -59.71 -13.61 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -92.07 -8.22 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.639 ' N ' HD13 ' A' ' 34' ' ' ILE . 39.8 m-70 -92.71 24.07 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -151.43 146.78 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.65 61.41 3.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.36 116.09 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 152.8 5.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 118.76 5.87 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.8 t -108.82 96.15 6.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.38 -152.72 49.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 172.49 12.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.8 t -127.18 135.33 50.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -126.9 164.73 20.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.527 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -133.85 141.54 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -112.56 129.09 56.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.83 -87.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -72.79 -49.05 33.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -44.2 142.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.29 174.28 22.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -85.94 140.37 30.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -173.23 144.08 7.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.528 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 71.0 mm-40 -35.82 107.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.64 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -118.75 42.17 0.42 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.719 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.75 -15.87 37.34 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -84.85 82.3 8.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 145.98 33.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -63.33 110.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.66 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -79.13 -67.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -90.71 -44.3 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.15 46.9 0.91 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 1.3 tmtm? -98.91 132.71 44.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -91.49 124.52 35.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.0 m-85 -117.04 155.95 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.8 t -66.92 -41.97 86.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.0 169.79 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 m -53.66 -43.13 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -48.85 -58.2 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -52.15 -46.24 65.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tp -54.48 -58.96 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -50.56 -61.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 30.1 ttt180 -39.29 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.81 ' O ' HD12 ' A' ' 34' ' ' ILE . 4.2 t60 -90.62 -48.23 7.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -51.08 -16.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 8.9 mmm180 -62.0 -20.86 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -87.75 -8.91 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.733 ' N ' HD13 ' A' ' 34' ' ' ILE . 24.6 m-70 -87.98 -26.84 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -83.57 -17.69 40.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.24 70.47 1.0 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -123.24 -48.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -101.83 155.52 36.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.82 153.71 68.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' PRO . 82.9 p -34.47 -49.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.99 -152.54 29.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.34 3.53 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 p -127.4 140.47 52.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.9 m -73.73 176.87 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.452 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -109.91 116.75 32.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 p -123.63 155.98 36.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.36 134.98 8.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -126.74 110.38 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m 43.92 40.48 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.38 -135.32 12.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.8 p -124.39 94.9 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.13 144.61 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -69.82 112.42 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.615 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.26 44.19 1.22 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.2 Cg_endo -69.74 -14.86 36.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -83.53 36.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.85 152.02 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.5 122.45 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -12.19 60.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.74 -63.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -91.74 -49.02 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.23 37.89 1.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.9 tmtt? -90.69 120.24 31.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.88 125.34 33.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.0 m-85 -118.3 -175.77 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.3 m -120.9 -27.36 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -119.89 121.44 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -45.38 -31.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.2 p -66.41 -46.7 75.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -42.21 86.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.04 -56.67 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.34 -61.56 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -38.34 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.97 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.3 t60 -86.28 -52.99 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -45.26 -19.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 31' ' ' HIS . 8.3 mmm180 -60.29 -10.13 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.97 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.09 -8.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.62 ' N ' HD13 ' A' ' 34' ' ' ILE . 55.3 m-70 -94.56 -20.32 19.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.8 t -83.4 168.24 16.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.76 42.59 2.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -109.62 154.64 22.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -104.45 153.6 38.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 86.29 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 p -101.06 153.63 19.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.45 164.63 38.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 85.46 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.272 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.8 p -96.93 125.52 41.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -105.31 164.57 11.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.492 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -116.14 -52.69 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -61.48 172.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.84 -79.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -75.97 152.0 37.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -163.17 134.35 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.81 -123.79 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.4 p -144.18 177.97 8.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.16 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.25 167.47 11.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.495 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 8.9 mm-40 -70.34 106.06 3.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -118.93 45.48 0.67 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.533 0.683 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.1 Cg_endo -69.77 -11.27 30.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.786 ' O ' HD22 ' A' ' 28' ' ' LEU . 74.8 m-85 -92.68 34.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' CB ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -89.13 149.65 23.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' HD13 ' A' ' 28' ' ' LEU . 3.2 t -57.88 118.25 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.1 -21.96 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.6 -54.8 19.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.64 -45.44 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.95 47.85 0.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 3.0 tmtt? -109.24 120.87 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . . . -83.93 130.35 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 36.7 m-85 -114.75 -175.98 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.6 p -87.13 -53.08 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -128.21 164.49 22.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -52.72 -47.67 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -49.5 -46.63 48.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.67 -49.61 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.786 HD22 ' O ' ' A' ' 13' ' ' TYR . 9.1 tp -52.84 -54.73 30.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -51.45 -63.51 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 28.3 ttt180 -37.45 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.882 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.7 t60 -87.45 -51.78 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -47.17 -18.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 8.2 mmt180 -59.74 -14.35 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -92.4 -6.75 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.647 ' N ' HD13 ' A' ' 34' ' ' ILE . 34.9 m-70 -94.61 -28.37 15.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -72.74 134.25 44.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.83 104.75 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -120.73 -75.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.959 0.409 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -120.93 157.23 55.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 177.77 5.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.368 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -40.52 146.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.99 -150.92 6.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 94.35 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -80.18 144.49 32.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -132.96 98.53 4.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.511 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p -95.28 42.25 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -123.04 131.68 53.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.01 -153.35 7.38 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.1 p -58.07 107.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -163.68 160.11 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.88 -166.44 36.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 9' ' ' GLY . 9.0 t -129.12 -44.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.143 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.474 ' N ' HG23 ' A' ' 8' ' ' THR . . . -79.51 -179.29 52.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -113.31 111.87 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.63 44.05 1.2 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.532 0.682 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.79 -13.34 34.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' O ' HD13 ' A' ' 28' ' ' LEU . 36.1 m-85 -84.88 35.12 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 154.93 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 19' ' ' GLY . 12.2 t -77.5 107.3 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -59.23 -27.69 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.41 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.35 -45.78 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 110.24 42.65 1.15 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.3 tmtm? -96.88 128.5 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.62 123.87 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 4.4 m-85 -114.09 142.56 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -59.54 -51.05 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -122.68 155.77 35.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.8 m -50.98 -51.79 49.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 p -42.05 -42.95 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -63.13 -44.19 96.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 13' ' ' TYR . 6.6 tp -54.12 -55.77 24.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.59 -60.84 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -40.08 -27.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.4 t60 -88.63 -52.81 4.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -44.55 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 36' ' ' THR . 11.8 mmm180 -60.3 -9.63 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.92 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -95.61 -7.57 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.598 ' N ' HD13 ' A' ' 34' ' ' ILE . 40.1 m-70 -97.68 27.5 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 33' ' ' ARG . 5.1 t -124.19 -36.06 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.45 49.75 1.02 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -120.01 175.75 5.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -75.39 159.77 81.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 159.89 51.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -92.8 45.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.81 128.7 0.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 113.38 3.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 t -120.5 81.29 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -102.49 98.64 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.506 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -125.61 147.23 49.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.888 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -156.52 167.92 28.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 -128.77 1.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 p -98.65 127.22 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -73.64 -63.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.51 -100.05 0.89 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 p -108.1 176.21 5.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.147 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.62 168.83 12.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -71.0 112.96 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.612 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -126.88 43.98 1.15 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.79 -15.37 36.94 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.254 . . . . 0.0 112.303 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 18.3 m-85 -88.65 83.92 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 154.54 20.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -68.78 122.86 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -75.55 -6.65 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -88.79 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 p -91.15 -46.93 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.98 40.68 0.96 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.7 tmtt? -91.83 127.29 37.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.27 118.53 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 22.5 m-85 -106.61 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.3 t -101.96 -37.0 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -131.66 145.05 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.2 m -46.09 -40.75 11.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -55.86 -47.88 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -56.41 -46.62 80.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.67 -55.41 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.25 -60.93 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 15.6 ttm180 -39.65 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.862 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.2 t60 -91.82 -49.91 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -48.76 -18.12 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 9.2 mmm180 -60.47 -16.42 36.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.862 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -89.63 -9.85 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.684 ' N ' HD13 ' A' ' 34' ' ' ILE . 28.3 m-70 -89.1 -12.27 41.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -103.24 -15.02 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.32 41.4 26.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -82.86 92.37 7.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -151.34 152.4 30.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.551 0.691 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -36.24 11.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -126.17 -60.76 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.92 -116.97 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.76 3.31 2.84 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' PRO . 11.7 m -33.74 -59.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.9 m -100.96 172.31 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.468 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -66.57 171.81 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -137.57 144.55 42.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.807 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.5 65.76 0.78 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -113.32 94.97 5.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 m -159.2 170.86 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.19 170.1 15.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -154.28 128.34 8.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 111.12 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.17 131.66 6.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.545 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 68.0 mt-10 -49.52 106.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -116.73 44.01 0.42 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.76 -11.22 30.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -85.07 78.61 9.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 3.7 ptmt -101.27 177.95 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 17' ' ' GLU . 5.2 t -98.55 69.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.7 m-80 -31.77 -36.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . 21.3 mt-10 -47.6 -51.5 21.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -110.89 -39.34 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' C ' ' HE2' ' A' ' 14' ' ' LYS . . . 108.85 43.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -107.56 129.76 54.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.561 ' HB1' ' HE3' ' A' ' 11' ' ' LYS . . . -93.48 133.92 36.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 8.8 m-85 -120.72 157.05 30.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -61.53 -39.68 91.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -148.78 172.19 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.1 m -51.5 -57.21 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.2 t -40.69 -56.4 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -51.67 -44.14 62.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 5.2 tp -60.69 -56.38 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.29 -61.31 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -37.86 -28.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.921 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.5 t60 -88.34 -51.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -45.33 -19.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 36' ' ' THR . 7.1 mmm180 -59.88 -11.55 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.921 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.81 -9.44 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.634 ' N ' HD13 ' A' ' 34' ' ' ILE . 51.1 m-70 -93.11 6.62 47.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 33' ' ' ARG . 7.2 t -95.51 -37.69 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.99 -58.45 0.61 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -76.25 131.44 39.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -125.91 156.27 71.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.48 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.733 2.288 . . . . 0.0 112.314 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.9 t -164.97 132.42 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.78 122.8 4.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 133.33 25.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.233 . . . . 0.0 112.35 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.0 p -75.98 122.64 24.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -48.69 123.33 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.508 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -149.68 149.79 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -168.17 127.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.31 -174.88 29.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -102.26 145.09 29.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -79.19 -53.74 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.24 177.26 14.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' THR . 10.0 t -134.06 117.05 16.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.148 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.22 175.52 36.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 12.1 mm-40 -70.17 110.98 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -124.51 44.35 1.03 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.893 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.76 -15.15 36.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 30.0 m-85 -89.53 36.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -75.54 160.46 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.89 107.93 10.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -64.02 -17.75 63.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.51 -62.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.31 -45.74 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.462 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 114.29 38.13 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 1.8 tmtm? -87.63 119.92 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 118.89 25.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 28.2 m-85 -108.14 -176.22 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -109.66 -15.35 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -154.75 160.98 41.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -58.71 -43.94 90.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -52.88 -52.03 58.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -55.23 -47.78 74.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tp -53.15 -54.52 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.3 -61.48 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 15.8 ttm180 -38.5 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.988 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.3 t60 -88.78 -53.94 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -43.85 -19.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.8 mmm-85 -59.04 -11.62 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.988 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -95.5 2.55 9.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.825 ' N ' HD13 ' A' ' 34' ' ' ILE . 43.9 m-70 -101.6 -11.5 19.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.8 t -93.51 -38.47 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.93 130.8 6.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -116.95 -33.04 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -163.85 152.8 11.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.708 . . . . 0.0 110.857 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 113.7 3.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -118.06 176.41 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.93 160.23 25.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 120.33 7.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -94.95 -59.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 t -48.44 132.65 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -100.8 87.52 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t 41.43 42.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.32 -135.71 13.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t 58.11 40.02 25.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.373 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -111.32 93.68 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.97 151.26 22.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -128.78 35.07 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.39 165.3 38.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.96 112.06 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.93 43.89 1.18 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.698 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.2 Cg_endo -69.75 -17.18 37.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.387 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -82.81 78.5 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.6 ' HZ2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -109.2 -177.72 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 5.3 t -98.35 107.62 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.82 7.88 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -99.38 -31.45 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -129.72 -28.37 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.516 ' C ' ' CE ' ' A' ' 14' ' ' LYS . . . 94.6 39.43 4.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.459 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.16 130.0 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.3 m-85 -117.28 172.29 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.6 m -85.49 -38.38 18.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -140.62 160.24 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.5 m -48.59 -49.72 35.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -47.54 -53.12 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -52.34 -43.62 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . 9.6 tp -59.43 -61.16 2.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.06 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -37.77 -27.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.817 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.8 t60 -89.89 -48.92 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -49.29 -17.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 9.2 mmm180 -59.92 -18.56 45.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.817 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -88.22 -2.75 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.697 ' N ' HD13 ' A' ' 34' ' ' ILE . 42.2 m-70 -99.03 -33.5 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 t -65.15 142.46 58.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.55 105.68 2.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -108.12 -36.52 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -98.02 155.94 36.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.75 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.379 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' PRO . 26.0 t -37.43 -61.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.63 -168.66 33.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.37 3.61 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -145.25 152.03 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.7 m -76.53 82.06 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.509 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -86.83 146.95 26.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -87.75 161.36 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.01 99.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -85.96 41.61 0.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -66.59 137.48 56.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.1 36.5 0.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 t -171.64 159.96 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.73 -160.2 16.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 2.4 mp0 -102.78 111.19 23.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.406 . . . . 0.0 110.877 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.43 44.17 1.22 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.896 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.81 -15.33 36.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -85.12 34.14 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 151.75 38.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.0 t -71.65 104.77 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -66.69 -70.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.08 -41.77 11.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.63 44.4 1.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 1.4 tmtm? -98.03 126.98 43.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -87.61 128.51 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 31.5 m-85 -123.88 122.49 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -65.8 -14.33 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -131.72 133.58 44.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -56.19 -37.17 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.3 t -63.16 -39.76 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 2.7 mptt -61.25 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 tp -57.73 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.02 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -45.85 -23.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.806 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 t60 -92.74 -48.11 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -49.61 -18.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -58.96 -21.04 57.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -88.55 2.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.685 ' N ' HD13 ' A' ' 34' ' ' ILE . 30.4 m-70 -101.97 -32.33 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.9 -10.82 6.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.41 93.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -105.74 -45.71 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.904 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -157.41 168.07 13.22 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 -21.32 33.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 t -63.77 107.97 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.9 -164.59 35.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m 50.89 38.43 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 t 41.68 41.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.482 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -91.67 133.29 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 m -41.37 140.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.13 39.46 2.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 m -138.84 120.96 15.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -136.31 119.92 17.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.18 101.02 1.95 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.7 p -136.55 134.61 37.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.02 165.81 13.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.66 111.23 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.603 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -126.87 44.25 1.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.8 -11.87 31.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.49 80.96 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.51 140.81 42.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -61.93 106.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -63.28 -21.57 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.44 -65.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -94.57 -46.99 6.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.97 45.8 0.68 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.4 tmtm? -98.43 126.9 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.16 125.97 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.051 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 19.3 m-85 -118.5 153.2 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.3 p -79.59 -31.53 41.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -137.55 157.25 46.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.2 m -56.94 -57.1 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 t -40.0 -37.93 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -67.15 -51.43 53.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -52.37 -53.75 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.28 -60.39 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -39.73 -25.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.776 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.7 t60 -92.17 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -48.98 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -58.34 -21.0 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -89.28 -10.49 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.711 ' N ' HD13 ' A' ' 34' ' ' ILE . 6.8 m-70 -86.26 -26.68 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 37' ' ' GLY . 10.3 t -81.89 -47.96 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' N ' HG23 ' A' ' 36' ' ' THR . . . 151.18 -54.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -96.42 158.27 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 1.1 pttm -147.82 168.34 11.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 54.6 Cg_endo -69.73 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.381 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t 75.05 51.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.76 158.04 22.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 161.28 46.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.2 p -104.45 158.25 16.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 m -130.87 41.04 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.466 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -67.1 -62.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -72.22 143.79 48.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.24 -71.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -82.63 45.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -116.09 127.51 54.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.36 91.72 0.65 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 p -130.24 106.82 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.125 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.08 -158.63 26.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 9.2 mp0 -93.31 101.99 14.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.398 . . . . 0.0 110.854 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -117.0 42.52 0.37 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.4 Cg_endo -69.7 -14.92 36.97 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -84.1 36.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 155.83 39.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.5 122.03 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -7.94 55.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -87.08 -66.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.0 p -91.42 -46.06 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.46 43.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.2 tmtm? -95.5 128.85 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.92 117.4 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 11.8 m-85 -107.82 170.04 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -79.39 -60.58 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -117.64 154.72 31.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -43.37 -50.08 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -45.56 -43.18 11.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 31.6 mmtm -59.99 -44.36 94.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.26 -59.93 4.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.14 -62.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 12.4 tpt180 -39.07 -26.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.891 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.9 t60 -90.53 -50.55 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -46.94 -18.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 10.3 mmm180 -59.71 -13.73 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -92.09 -0.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.639 ' N ' HD13 ' A' ' 34' ' ' ILE . 55.9 m-70 -100.22 -25.59 14.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 38' ' ' GLU . 3.1 t -78.25 -22.47 48.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.64 -22.76 38.4 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' H ' HG23 ' A' ' 36' ' ' THR . 3.7 tp10 -85.46 131.73 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.3 OUTLIER -151.65 168.13 11.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.586 0.708 . . . . 0.0 110.943 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.77 -44.54 2.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 p -88.62 87.47 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.39 145.22 2.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 169.32 19.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.307 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -121.62 -51.23 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -172.54 172.8 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.465 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -68.69 83.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -71.15 168.97 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.95 155.63 8.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -147.3 149.71 33.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -123.94 87.9 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.99 -158.09 34.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -156.67 145.87 20.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.52 -165.34 37.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -116.6 111.05 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -125.16 44.07 1.03 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.697 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.7 -15.69 37.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -85.33 33.62 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 148.54 30.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.71 108.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -26.64 68.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.81 -66.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.66 -46.51 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.19 44.92 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.1 tmtm? -94.33 131.59 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -94.97 121.34 36.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 14.9 m-85 -113.82 155.89 24.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.5 m -75.54 -50.05 16.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -126.28 155.51 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -50.06 -39.59 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -53.59 -37.33 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -43.18 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.06 -61.64 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -44.34 -62.14 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ALA . 33.8 ttt-85 -35.58 -36.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.5 t60 -86.5 -40.11 15.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.3 mt-30 -52.86 -21.59 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 2.4 mmt180 -95.29 17.6 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.5 pp -105.32 -31.56 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' N ' HG13 ' A' ' 34' ' ' ILE . 72.9 m-70 -56.23 -33.79 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.0 -43.46 29.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.71 -35.11 0.23 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -74.72 -174.69 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.99 0.424 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.68 153.53 2.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.95 20.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.6 p -78.13 46.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.07 126.49 3.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -11.88 31.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.293 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -55.9 -62.48 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.3 m -131.64 176.94 7.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -74.14 171.91 12.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -63.77 94.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.56 75.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -70.58 -49.16 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 p -118.88 141.35 48.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.89 99.38 0.57 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.9 p -134.5 164.8 26.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.818 0.342 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.79 168.77 43.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 46.8 mt-10 -45.2 110.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.694 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -122.21 38.34 0.35 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.72 -27.83 26.16 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -75.74 83.63 2.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -107.83 150.36 27.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -68.12 108.96 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -64.13 -18.66 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.64 -67.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -93.89 -49.49 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 119.71 40.74 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.3 tmtt? -90.58 129.57 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.84 118.03 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 11.1 m-85 -109.62 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -97.95 -49.95 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -118.4 146.7 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -45.86 -40.96 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -55.11 -44.11 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -46.44 88.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -53.85 -54.61 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.08 -63.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 26.4 ttt180 -37.3 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.898 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.0 t60 -87.86 -52.39 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -46.55 -18.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 13.7 mmm-85 -60.03 -12.83 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.47 -5.94 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.625 ' N ' HD13 ' A' ' 34' ' ' ILE . 41.7 m-70 -95.25 -27.23 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 37' ' ' GLY . 5.6 t -71.72 -46.24 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 36' ' ' THR . . . 111.99 76.39 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -110.23 -61.57 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 152.58 93.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.236 . . . . 0.0 112.327 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -154.34 155.71 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.57 -121.55 1.03 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -48.1 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.2 p -109.94 91.25 3.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 t -142.37 116.32 9.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.485 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -86.7 161.23 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.815 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -136.49 123.23 21.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.62 137.38 8.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -135.49 159.28 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -158.67 124.18 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.35 -178.45 52.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -115.71 -6.7 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.348 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.92 -155.51 25.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 6.1 mt-10 -103.33 99.22 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -117.21 45.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.905 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.8 -20.41 34.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -76.94 84.18 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -110.06 162.56 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.52 115.8 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.52 -9.76 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.63 -59.93 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -100.49 -43.1 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 112.01 30.88 2.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 5.7 tmtt? -81.01 123.36 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.38 121.54 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 15.4 m-85 -112.26 162.89 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -75.03 -52.66 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -124.22 168.77 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 m -58.81 -52.94 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -44.53 -40.81 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -63.46 -49.78 72.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.72 -62.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -42.41 -60.71 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.031 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -37.88 -35.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' HA ' HG23 ' A' ' 34' ' ' ILE . 7.8 t60 -87.06 -34.47 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' ALA . 20.9 mt-30 -58.68 -16.5 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.28 5.47 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.563 HG23 ' HA ' ' A' ' 31' ' ' HIS . 1.3 pp -93.27 -32.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 34' ' ' ILE . 69.4 m-70 -52.24 -42.69 63.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.99 -48.6 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.67 44.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.89 -67.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HZ3' ' HG3' ' A' ' 43' ' ' PRO . 8.1 mtmp? -69.05 153.96 95.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.2 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 m -42.93 127.23 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.69 -115.67 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HG3' ' HZ3' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.75 1.39 4.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.357 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 43' ' ' PRO . 59.9 p -34.24 122.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 p 44.16 49.52 7.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.483 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -70.03 161.28 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -121.33 131.34 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.55 175.86 14.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -39.16 -62.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -48.61 152.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.57 -96.34 0.22 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.8 p -96.33 -50.4 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.03 -167.8 6.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 22.2 mt-10 -75.66 109.78 9.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.609 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -124.72 44.33 1.05 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.552 0.691 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -13.52 34.82 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 37.6 m-85 -90.79 31.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 138.62 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.95 118.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.34 -22.48 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.72 -58.63 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -101.17 -47.32 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.46 44.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -104.19 124.12 48.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.78 128.47 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -114.1 176.45 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -86.44 -46.39 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -129.23 167.76 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -57.22 -44.85 84.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -50.49 -51.23 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -54.74 -45.3 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tp -55.07 -55.4 31.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.99 -61.22 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 19.1 ttp180 -37.62 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.4 t60 -87.68 -51.39 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -46.16 -18.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 13.8 mmm-85 -59.88 -12.13 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -94.45 -0.08 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.618 ' N ' HD13 ' A' ' 34' ' ' ILE . 46.2 m-70 -101.93 25.29 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.7 t -140.87 129.37 22.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.55 125.56 8.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.85 -47.76 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -129.59 167.97 18.17 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.77 -12.64 33.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.4 m -58.82 135.31 57.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 136.18 111.25 1.09 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.524 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 54.0 Cg_endo -69.72 -6.24 18.09 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -37.86 135.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -147.49 135.33 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.556 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.79 0.328 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.36 109.79 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.89 -13.52 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -79.52 -65.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -93.34 -46.59 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.472 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 113.79 45.19 0.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -99.67 130.17 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.51 121.43 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 2.7 m-85 -109.0 171.47 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -79.76 -39.05 31.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -136.64 -179.39 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -72.69 -46.61 52.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -49.07 -38.87 25.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -66.58 -45.53 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -54.38 -54.61 38.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 31' ' ' HIS . . . -53.27 -58.58 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -44.39 -22.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.888 ' O ' HD12 ' A' ' 34' ' ' ILE . 5.0 t60 -94.16 -46.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -51.03 -17.17 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -61.54 -27.24 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.888 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.6 t -72.47 107.79 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.51 -21.25 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.88 -68.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.18 -45.09 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.95 46.12 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -100.48 120.45 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.53 126.88 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 29.4 m-85 -118.44 145.83 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -68.21 -17.36 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.803 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -155.83 171.15 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -70.95 -40.31 72.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -49.3 -42.99 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -71.26 -39.83 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.86 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.18 -65.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -35.97 -30.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.932 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.4 t60 -86.63 -52.71 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -45.98 -19.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 15.4 mmm-85 -59.88 -11.8 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.932 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.2 t -79.37 106.43 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.2 -23.33 63.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.64 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -96.5 -44.31 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.78 44.31 1.05 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -99.56 119.39 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.322 . . . . 0.0 110.852 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.83 118.98 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 11.9 m-85 -104.65 -178.08 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -97.32 -46.85 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.15 146.18 50.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -42.62 -40.99 2.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -56.25 -49.24 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -54.43 -41.95 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.72 -55.91 28.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.6 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' ALA . 52.4 ttm-85 -37.19 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.949 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.0 t60 -87.9 -53.15 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -45.48 -19.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 14.7 mmm180 -60.02 -11.12 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.62 119.87 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -11.07 60.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -83.04 -64.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.54 -48.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.03 43.72 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 2.8 tmtm? -96.6 123.73 40.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 116.31 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 15.4 m-85 -105.01 173.54 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -104.72 -40.19 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -122.18 140.02 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.1 m -42.27 -40.73 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -58.3 -50.61 73.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -49.06 -44.57 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . 7.9 tp -60.76 -60.84 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -48.7 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 27.6 mtm-85 -37.14 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.779 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 t60 -88.09 -50.56 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -48.77 -19.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 16.4 mmm-85 -58.13 -21.57 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 19' ' ' GLY . 20.2 t -76.22 89.62 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -45.3 -31.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -54.55 -58.51 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -105.69 -46.32 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.73 45.3 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.595 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.9 tmtm? -102.58 117.59 35.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.02 119.56 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 18.7 m-85 -108.13 162.32 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -80.17 -42.68 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 25' ' ' THR . 6.4 tp60 -127.91 151.93 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m -48.35 -51.11 27.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -46.2 -50.56 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -51.14 -51.04 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.6 -54.11 37.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.56 -60.02 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -40.46 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.2 t60 -90.64 -50.95 5.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -46.63 -19.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' ' 31' ' ' HIS . 5.5 mmt85 -59.71 -13.61 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -63.33 110.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.66 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -79.13 -67.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -90.71 -44.3 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.15 46.9 0.91 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 1.3 tmtm? -98.91 132.71 44.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -91.49 124.52 35.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.0 m-85 -117.04 155.95 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.8 t -66.92 -41.97 86.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.0 169.79 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 m -53.66 -43.13 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -48.85 -58.2 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -52.15 -46.24 65.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tp -54.48 -58.96 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -50.56 -61.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 30.1 ttt180 -39.29 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.81 ' O ' HD12 ' A' ' 34' ' ' ILE . 4.2 t60 -90.62 -48.23 7.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -51.08 -16.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 8.9 mmm180 -62.0 -20.86 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.5 122.45 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -74.78 -12.19 60.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.74 -63.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -91.74 -49.02 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.23 37.89 1.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.9 tmtt? -90.69 120.24 31.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.88 125.34 33.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.0 m-85 -118.3 -175.77 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.3 m -120.9 -27.36 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -119.89 121.44 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -45.38 -31.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.2 p -66.41 -46.7 75.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -42.21 86.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.04 -56.67 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.34 -61.56 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -38.34 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.97 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.3 t60 -86.28 -52.99 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -45.26 -19.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 31' ' ' HIS . 8.3 mmm180 -60.29 -10.13 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.97 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' CB ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' HD13 ' A' ' 28' ' ' LEU . 3.2 t -57.88 118.25 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.1 -21.96 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.6 -54.8 19.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.64 -45.44 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.95 47.85 0.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 3.0 tmtt? -109.24 120.87 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . . . -83.93 130.35 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 36.7 m-85 -114.75 -175.98 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.6 p -87.13 -53.08 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -128.21 164.49 22.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -52.72 -47.67 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -49.5 -46.63 48.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.67 -49.61 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 15' ' ' CYS . 9.1 tp -52.84 -54.73 30.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -51.45 -63.51 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 28.3 ttt180 -37.45 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.882 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.7 t60 -87.45 -51.78 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -47.17 -18.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 8.2 mmt180 -59.74 -14.35 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.331 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 19' ' ' GLY . 12.2 t -77.5 107.3 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -59.23 -27.69 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.41 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.35 -45.78 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 110.24 42.65 1.15 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.3 tmtm? -96.88 128.5 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.62 123.87 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 4.4 m-85 -114.09 142.56 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -59.54 -51.05 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -122.68 155.77 35.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.8 m -50.98 -51.79 49.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 p -42.05 -42.95 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -63.13 -44.19 96.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.12 -55.77 24.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.59 -60.84 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -40.08 -27.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.4 t60 -88.63 -52.81 4.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -44.55 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' HIS . 11.8 mmm180 -60.3 -9.63 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.92 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -68.78 122.86 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -75.55 -6.65 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -88.79 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 p -91.15 -46.93 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.98 40.68 0.96 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.7 tmtt? -91.83 127.29 37.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.27 118.53 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 22.5 m-85 -106.61 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.3 t -101.96 -37.0 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -131.66 145.05 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.2 m -46.09 -40.75 11.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -55.86 -47.88 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -56.41 -46.62 80.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.67 -55.41 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.25 -60.93 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 15.6 ttm180 -39.65 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.862 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.2 t60 -91.82 -49.91 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -48.76 -18.12 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 9.2 mmm180 -60.47 -16.42 36.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.862 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 3.7 ptmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 17' ' ' GLU . 5.2 t -98.55 69.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.7 m-80 -31.77 -36.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . 21.3 mt-10 -47.6 -51.5 21.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -110.89 -39.34 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' C ' ' HE2' ' A' ' 14' ' ' LYS . . . 108.85 43.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -107.56 129.76 54.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -93.48 133.92 36.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 8.8 m-85 -120.72 157.05 30.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -61.53 -39.68 91.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -148.78 172.19 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.1 m -51.5 -57.21 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.2 t -40.69 -56.4 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -51.67 -44.14 62.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 5.2 tp -60.69 -56.38 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.29 -61.31 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -37.86 -28.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.921 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.5 t60 -88.34 -51.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -45.33 -19.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' HIS . 7.1 mmm180 -59.88 -11.55 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.921 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.89 107.93 10.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -64.02 -17.75 63.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.51 -62.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.31 -45.74 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.462 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 114.29 38.13 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 1.8 tmtm? -87.63 119.92 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 118.89 25.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 28.2 m-85 -108.14 -176.22 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -109.66 -15.35 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -154.75 160.98 41.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -58.71 -43.94 90.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -52.88 -52.03 58.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -55.23 -47.78 74.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tp -53.15 -54.52 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.3 -61.48 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 15.8 ttm180 -38.5 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.988 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.3 t60 -88.78 -53.94 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -43.85 -19.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.8 mmm-85 -59.04 -11.62 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.988 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.6 ' HZ2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 5.3 t -98.35 107.62 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.82 7.88 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -99.38 -31.45 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -129.72 -28.37 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.516 ' C ' ' CE ' ' A' ' 14' ' ' LYS . . . 94.6 39.43 4.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.459 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.16 130.0 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.3 m-85 -117.28 172.29 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.6 m -85.49 -38.38 18.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -140.62 160.24 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.5 m -48.59 -49.72 35.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -47.54 -53.12 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -52.34 -43.62 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . 9.6 tp -59.43 -61.16 2.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.06 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -37.77 -27.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.817 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.8 t60 -89.89 -48.92 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -49.29 -17.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 9.2 mmm180 -59.92 -18.56 45.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.817 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.0 t -71.65 104.77 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -66.69 -70.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.08 -41.77 11.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.63 44.4 1.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 1.4 tmtm? -98.03 126.98 43.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -87.61 128.51 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 31.5 m-85 -123.88 122.49 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -65.8 -14.33 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -131.72 133.58 44.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -56.19 -37.17 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.3 t -63.16 -39.76 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 2.7 mptt -61.25 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 tp -57.73 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.02 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -45.85 -23.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.806 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 t60 -92.74 -48.11 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -49.61 -18.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -58.96 -21.04 57.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -61.93 106.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -63.28 -21.57 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.44 -65.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -94.57 -46.99 6.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.97 45.8 0.68 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.4 tmtm? -98.43 126.9 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.16 125.97 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.051 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 19.3 m-85 -118.5 153.2 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.3 p -79.59 -31.53 41.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -137.55 157.25 46.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.2 m -56.94 -57.1 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 t -40.0 -37.93 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -67.15 -51.43 53.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -52.37 -53.75 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.28 -60.39 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -39.73 -25.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.776 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.7 t60 -92.17 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -48.98 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -58.34 -21.0 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.5 122.03 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -75.74 -7.94 55.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -87.08 -66.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.0 p -91.42 -46.06 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.46 43.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.2 tmtm? -95.5 128.85 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.92 117.4 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 11.8 m-85 -107.82 170.04 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -79.39 -60.58 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -117.64 154.72 31.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -43.37 -50.08 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -45.56 -43.18 11.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 31.6 mmtm -59.99 -44.36 94.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.26 -59.93 4.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.14 -62.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 12.4 tpt180 -39.07 -26.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.891 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.9 t60 -90.53 -50.55 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -46.94 -18.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 10.3 mmm180 -59.71 -13.73 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.71 108.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -26.64 68.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.81 -66.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.66 -46.51 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.19 44.92 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.1 tmtm? -94.33 131.59 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -94.97 121.34 36.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 14.9 m-85 -113.82 155.89 24.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.5 m -75.54 -50.05 16.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -126.28 155.51 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -50.06 -39.59 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -53.59 -37.33 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -43.18 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.06 -61.64 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -44.34 -62.14 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ALA . 33.8 ttt-85 -35.58 -36.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.521 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.5 t60 -86.5 -40.11 15.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.3 mt-30 -52.86 -21.59 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 2.4 mmt180 -95.29 17.6 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.5 pp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.363 . . . . 0.0 110.868 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -68.12 108.96 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.438 ' ND2' ' H ' ' A' ' 16' ' ' ASN . 3.6 m-80 -64.13 -18.66 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.64 -67.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -93.89 -49.49 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 119.71 40.74 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.3 tmtt? -90.58 129.57 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.84 118.03 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 11.1 m-85 -109.62 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -97.95 -49.95 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -118.4 146.7 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -45.86 -40.96 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -55.11 -44.11 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -46.44 88.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -53.85 -54.61 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.08 -63.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 26.4 ttt180 -37.3 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.898 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.0 t60 -87.86 -52.39 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -46.55 -18.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.438 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 13.7 mmm-85 -60.03 -12.83 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.52 115.8 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.52 -9.76 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.63 -59.93 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -100.49 -43.1 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 112.01 30.88 2.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 5.7 tmtt? -81.01 123.36 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.38 121.54 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 15.4 m-85 -112.26 162.89 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -75.03 -52.66 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -124.22 168.77 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 m -58.81 -52.94 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -44.53 -40.81 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -63.46 -49.78 72.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.72 -62.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -42.41 -60.71 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.031 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -37.88 -35.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' HA ' HG23 ' A' ' 34' ' ' ILE . 7.8 t60 -87.06 -34.47 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' ALA . 20.9 mt-30 -58.68 -16.5 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.28 5.47 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.563 HG23 ' HA ' ' A' ' 31' ' ' HIS . 1.3 pp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.792 0.329 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.95 118.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.34 -22.48 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.72 -58.63 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -101.17 -47.32 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.46 44.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -104.19 124.12 48.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.78 128.47 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -114.1 176.45 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -86.44 -46.39 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -129.23 167.76 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -57.22 -44.85 84.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -50.49 -51.23 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -54.74 -45.3 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tp -55.07 -55.4 31.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.99 -61.22 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 19.1 ttp180 -37.62 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.4 t60 -87.68 -51.39 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -46.16 -18.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 13.8 mmm-85 -59.88 -12.13 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -88.25 138.68 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 m -67.01 100.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.05 174.49 14.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -105.34 101.39 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -130.65 91.99 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 -142.87 3.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.2 p -116.82 154.31 30.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.26 -139.78 6.9 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.548 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 29.8 mt-10 -127.04 103.36 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -119.48 46.93 0.88 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.699 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.1 Cg_endo -69.79 -12.57 33.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.246 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -91.03 33.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -76.07 150.88 37.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.36 109.79 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.89 -13.52 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -79.52 -65.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -93.34 -46.59 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.472 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 113.79 45.19 0.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -99.67 130.17 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.51 121.43 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 2.7 m-85 -109.0 171.47 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -79.76 -39.05 31.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -136.64 -179.39 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -72.69 -46.61 52.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 p -49.07 -38.87 25.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -66.58 -45.53 78.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -54.38 -54.61 38.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 31' ' ' HIS . . . -53.27 -58.58 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -44.39 -22.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.888 ' O ' HD12 ' A' ' 34' ' ' ILE . 5.0 t60 -94.16 -46.45 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -51.03 -17.17 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.764 ' O ' HG22 ' A' ' 36' ' ' THR . 14.4 mmm-85 -61.54 -27.24 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.888 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -79.23 -6.18 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.816 ' N ' HD13 ' A' ' 34' ' ' ILE . 30.1 m-70 -96.26 -26.87 15.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 33' ' ' ARG . 9.7 t -69.62 -9.59 54.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.75 23.99 77.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 36' ' ' THR . 18.1 tt0 -86.7 -53.39 4.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -61.03 153.23 67.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.597 0.713 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 105.5 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 t -58.91 160.94 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.7 -100.66 0.58 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 173.63 10.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.382 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 t -83.32 114.69 21.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -146.76 128.18 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.499 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -91.52 163.51 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -127.4 89.75 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.42 129.23 4.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 p -110.27 169.09 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -149.53 152.98 36.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -176.68 34.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.2 p -121.04 142.34 49.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 111.148 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.52 149.57 5.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 3.9 mm-40 -69.38 109.49 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.614 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -122.19 44.32 0.82 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.701 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.8 -14.26 35.71 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.301 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -83.72 82.96 8.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.86 152.2 28.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 19' ' ' GLY . 8.6 t -72.47 107.79 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.51 -21.25 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.88 -68.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.18 -45.09 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.95 46.12 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -100.48 120.45 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.53 126.88 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 29.4 m-85 -118.44 145.83 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.2 p -68.21 -17.36 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.803 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -155.83 171.15 20.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -70.95 -40.31 72.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -49.3 -42.99 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -71.26 -39.83 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.86 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.18 -65.79 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -35.97 -30.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.932 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.4 t60 -86.63 -52.71 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -45.98 -19.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 15.4 mmm-85 -59.88 -11.8 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.932 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -92.43 -1.99 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.622 ' N ' HD13 ' A' ' 34' ' ' ILE . 60.4 m-70 -99.34 -17.74 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -89.18 -36.94 15.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.97 71.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -144.12 139.16 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -61.63 149.86 83.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 140.21 42.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.37 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -43.53 -57.98 2.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.8 -158.14 11.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 169.18 19.59 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.252 . . . . 0.0 112.318 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -151.8 110.73 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -83.3 91.65 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.472 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -103.69 144.71 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.1 p -123.63 -44.73 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.01 -56.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -148.76 124.61 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -69.87 -60.3 2.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.39 179.4 19.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 t -100.54 132.49 45.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 111.126 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.11 -149.9 7.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.509 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -124.98 111.6 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.605 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.6 44.33 1.27 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.568 0.699 . . . . 0.0 110.916 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.4 Cg_endo -69.78 -14.19 35.67 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.26 . . . . 0.0 112.303 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -86.4 33.21 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -70.44 157.98 36.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.2 t -79.37 106.43 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.2 -23.33 63.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.64 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -96.5 -44.31 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.78 44.31 1.05 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -99.56 119.39 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.322 . . . . 0.0 110.852 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -84.83 118.98 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 11.9 m-85 -104.65 -178.08 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -97.32 -46.85 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.15 146.18 50.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -42.62 -40.99 2.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.1 t -56.25 -49.24 74.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -54.43 -41.95 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.72 -55.91 28.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.6 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' ALA . 52.4 ttm-85 -37.19 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.949 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.0 t60 -87.9 -53.15 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -45.48 -19.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 14.7 mmm180 -60.02 -11.12 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -92.21 -7.76 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.61 ' N ' HD13 ' A' ' 34' ' ' ILE . 60.4 m-70 -92.77 -27.08 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 t -77.27 -38.57 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.17 124.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -120.46 -41.61 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -79.2 153.98 77.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.86 4.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 p -142.58 162.61 35.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.19 -169.72 13.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.82 20.45 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.9 m -83.4 121.26 26.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -84.95 93.1 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.483 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -117.68 109.98 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -130.19 137.51 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.73 55.96 0.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -44.3 150.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -166.12 127.7 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.93 160.99 9.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -65.48 130.21 42.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.87 175.05 46.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.553 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 23.6 mt-10 -89.48 98.65 11.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.901 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -117.05 42.59 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.556 0.694 . . . . 0.0 110.866 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.73 -17.59 37.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -79.31 83.48 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.82 143.33 38.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.62 119.87 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -11.07 60.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.538 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 22.7 mt-10 -83.04 -64.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.54 -48.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.03 43.72 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 2.8 tmtm? -96.6 123.73 40.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 116.31 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 15.4 m-85 -105.01 173.54 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -104.72 -40.19 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -122.18 140.02 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.1 m -42.27 -40.73 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.6 t -58.3 -50.61 73.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -49.06 -44.57 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . 7.9 tp -60.76 -60.84 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -48.7 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 27.6 mtm-85 -37.14 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.779 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 t60 -88.09 -50.56 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -48.77 -19.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 16.4 mmm-85 -58.13 -21.57 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -86.44 -9.92 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.694 ' N ' HD13 ' A' ' 34' ' ' ILE . 12.0 m-70 -87.33 20.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.85 159.02 43.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.41 98.3 1.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -160.96 163.63 31.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.394 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -146.84 155.79 47.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.535 0.683 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 178.88 4.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.7 m -89.07 -67.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.39 151.63 48.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 107.01 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -91.22 -52.49 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 p -58.42 90.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.495 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.467 ' HA ' ' CE ' ' A' ' 27' ' ' LYS . 59.9 p -86.81 132.79 33.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p 45.7 43.47 9.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.52 96.7 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -67.18 131.86 46.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -105.12 90.19 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.68 -113.88 0.68 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -70.77 164.94 24.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.59 165.44 12.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -105.25 112.33 25.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.602 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -128.37 44.2 1.28 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.77 -15.89 37.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -80.45 82.31 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -104.93 149.83 25.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 19' ' ' GLY . 20.2 t -76.22 89.62 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -45.3 -31.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -54.55 -58.51 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -105.69 -46.32 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.73 45.3 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.595 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.9 tmtm? -102.58 117.59 35.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.02 119.56 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 18.7 m-85 -108.13 162.32 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -80.17 -42.68 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 25' ' ' THR . 6.4 tp60 -127.91 151.93 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 31.5 m -48.35 -51.11 27.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -46.2 -50.56 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 2' ' ' SER . 30.1 mmtm -51.14 -51.04 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.6 -54.11 37.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.56 -60.02 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -40.46 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.2 t60 -90.64 -50.95 5.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -46.63 -19.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' N ' ' C ' ' A' ' 31' ' ' HIS . 5.5 mmt85 -59.71 -13.61 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -92.07 -8.22 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.639 ' N ' HD13 ' A' ' 34' ' ' ILE . 39.8 m-70 -92.71 24.07 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -151.43 146.78 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.65 61.41 3.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.36 116.09 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.16 152.8 5.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 118.76 5.87 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.8 t -108.82 96.15 6.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.38 -152.72 49.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 172.49 12.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.8 t -127.18 135.33 50.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -126.9 164.73 20.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.527 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -133.85 141.54 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -112.56 129.09 56.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.83 -87.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -72.79 -49.05 33.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -44.2 142.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.29 174.28 22.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -85.94 140.37 30.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -173.23 144.08 7.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.528 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 71.0 mm-40 -35.82 107.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.64 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -118.75 42.17 0.42 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.719 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.75 -15.87 37.34 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -84.85 82.3 8.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 145.98 33.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -63.33 110.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.66 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -79.13 -67.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -90.71 -44.3 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.15 46.9 0.91 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 1.3 tmtm? -98.91 132.71 44.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -91.49 124.52 35.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 19.0 m-85 -117.04 155.95 28.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.8 t -66.92 -41.97 86.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -143.0 169.79 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 m -53.66 -43.13 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -48.85 -58.2 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -52.15 -46.24 65.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tp -54.48 -58.96 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -50.56 -61.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 30.1 ttt180 -39.29 -26.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.81 ' O ' HD12 ' A' ' 34' ' ' ILE . 4.2 t60 -90.62 -48.23 7.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -51.08 -16.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 8.9 mmm180 -62.0 -20.86 64.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.81 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -87.75 -8.91 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.733 ' N ' HD13 ' A' ' 34' ' ' ILE . 24.6 m-70 -87.98 -26.84 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -83.57 -17.69 40.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.24 70.47 1.0 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -123.24 -48.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -101.83 155.52 36.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.82 153.71 68.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' PRO . 82.9 p -34.47 -49.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.99 -152.54 29.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.34 3.53 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 p -127.4 140.47 52.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.9 m -73.73 176.87 5.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.452 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -109.91 116.75 32.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 p -123.63 155.98 36.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.36 134.98 8.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -126.74 110.38 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m 43.92 40.48 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.38 -135.32 12.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.8 p -124.39 94.9 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.13 144.61 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -69.82 112.42 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.615 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.26 44.19 1.22 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.2 Cg_endo -69.74 -14.86 36.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -83.53 36.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.85 152.02 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.5 122.45 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -74.78 -12.19 60.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -83.74 -63.63 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -91.74 -49.02 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.23 37.89 1.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.9 tmtt? -90.69 120.24 31.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.88 125.34 33.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.0 m-85 -118.3 -175.77 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.3 m -120.9 -27.36 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -119.89 121.44 39.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -45.38 -31.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.2 p -66.41 -46.7 75.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -42.21 86.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.04 -56.67 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.34 -61.56 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -38.34 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.97 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.3 t60 -86.28 -52.99 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -45.26 -19.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 31' ' ' HIS . 8.3 mmm180 -60.29 -10.13 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.97 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.09 -8.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.62 ' N ' HD13 ' A' ' 34' ' ' ILE . 55.3 m-70 -94.56 -20.32 19.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.8 t -83.4 168.24 16.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.76 42.59 2.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -109.62 154.64 22.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -104.45 153.6 38.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 86.29 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.0 p -101.06 153.63 19.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.45 164.63 38.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 85.46 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.272 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.8 p -96.93 125.52 41.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -105.31 164.57 11.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.492 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -116.14 -52.69 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -61.48 172.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.84 -79.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -75.97 152.0 37.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -163.17 134.35 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.81 -123.79 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.4 p -144.18 177.97 8.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.16 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.25 167.47 11.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.495 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 8.9 mm-40 -70.34 106.06 3.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -118.93 45.48 0.67 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.533 0.683 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.1 Cg_endo -69.77 -11.27 30.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.786 ' O ' HD22 ' A' ' 28' ' ' LEU . 74.8 m-85 -92.68 34.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' CB ' ' HA ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -89.13 149.65 23.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' HD13 ' A' ' 28' ' ' LEU . 3.2 t -57.88 118.25 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -79.1 -21.96 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.6 -54.8 19.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -98.64 -45.44 6.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.95 47.85 0.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 3.0 tmtt? -109.24 120.87 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 14' ' ' LYS . . . -83.93 130.35 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 36.7 m-85 -114.75 -175.98 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.6 p -87.13 -53.08 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -128.21 164.49 22.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -52.72 -47.67 67.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -49.5 -46.63 48.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.67 -49.61 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.786 HD22 ' O ' ' A' ' 13' ' ' TYR . 9.1 tp -52.84 -54.73 30.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -51.45 -63.51 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 28.3 ttt180 -37.45 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.882 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.7 t60 -87.45 -51.78 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -47.17 -18.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 8.2 mmt180 -59.74 -14.35 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.882 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -92.4 -6.75 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.647 ' N ' HD13 ' A' ' 34' ' ' ILE . 34.9 m-70 -94.61 -28.37 15.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -72.74 134.25 44.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.83 104.75 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -120.73 -75.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.959 0.409 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -120.93 157.23 55.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 177.77 5.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.26 . . . . 0.0 112.368 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -40.52 146.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.99 -150.92 6.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 94.35 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -80.18 144.49 32.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -132.96 98.53 4.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.511 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p -95.28 42.25 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -123.04 131.68 53.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.01 -153.35 7.38 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.1 p -58.07 107.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -163.68 160.11 22.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.88 -166.44 36.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 9' ' ' GLY . 9.0 t -129.12 -44.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.143 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.474 ' N ' HG23 ' A' ' 8' ' ' THR . . . -79.51 -179.29 52.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -113.31 111.87 22.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.63 44.05 1.2 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.532 0.682 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.79 -13.34 34.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' O ' HD13 ' A' ' 28' ' ' LEU . 36.1 m-85 -84.88 35.12 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 154.93 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 19' ' ' GLY . 12.2 t -77.5 107.3 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -59.23 -27.69 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.41 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.35 -45.78 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 110.24 42.65 1.15 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.3 tmtm? -96.88 128.5 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.62 123.87 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 4.4 m-85 -114.09 142.56 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -59.54 -51.05 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -122.68 155.77 35.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.8 m -50.98 -51.79 49.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 p -42.05 -42.95 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -63.13 -44.19 96.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 13' ' ' TYR . 6.6 tp -54.12 -55.77 24.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.59 -60.84 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -40.08 -27.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.4 t60 -88.63 -52.81 4.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -44.55 -19.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 36' ' ' THR . 11.8 mmm180 -60.3 -9.63 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.92 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -95.61 -7.57 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.598 ' N ' HD13 ' A' ' 34' ' ' ILE . 40.1 m-70 -97.68 27.5 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 33' ' ' ARG . 5.1 t -124.19 -36.06 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.45 49.75 1.02 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -120.01 175.75 5.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -75.39 159.77 81.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 159.89 51.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -92.8 45.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.81 128.7 0.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 113.38 3.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 t -120.5 81.29 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -102.49 98.64 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.506 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -125.61 147.23 49.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.888 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -156.52 167.92 28.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 -128.77 1.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 p -98.65 127.22 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -73.64 -63.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.51 -100.05 0.89 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 p -108.1 176.21 5.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.147 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.62 168.83 12.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -71.0 112.96 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.612 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -126.88 43.98 1.15 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.79 -15.37 36.94 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.254 . . . . 0.0 112.303 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 18.3 m-85 -88.65 83.92 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 154.54 20.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -68.78 122.86 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -75.55 -6.65 51.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -88.79 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 p -91.15 -46.93 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.98 40.68 0.96 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.7 tmtt? -91.83 127.29 37.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.27 118.53 29.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 22.5 m-85 -106.61 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.3 t -101.96 -37.0 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -131.66 145.05 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.2 m -46.09 -40.75 11.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -55.86 -47.88 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -56.41 -46.62 80.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.67 -55.41 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -53.25 -60.93 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 15.6 ttm180 -39.65 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.862 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.2 t60 -91.82 -49.91 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -48.76 -18.12 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 9.2 mmm180 -60.47 -16.42 36.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.862 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -89.63 -9.85 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.684 ' N ' HD13 ' A' ' 34' ' ' ILE . 28.3 m-70 -89.1 -12.27 41.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -103.24 -15.02 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.32 41.4 26.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -82.86 92.37 7.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -151.34 152.4 30.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.551 0.691 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -36.24 11.25 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -126.17 -60.76 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.92 -116.97 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.76 3.31 2.84 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' PRO . 11.7 m -33.74 -59.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.9 m -100.96 172.31 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.468 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -66.57 171.81 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -137.57 144.55 42.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.807 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.5 65.76 0.78 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -113.32 94.97 5.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 m -159.2 170.86 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.19 170.1 15.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -154.28 128.34 8.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 111.12 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.17 131.66 6.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.545 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 68.0 mt-10 -49.52 106.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -116.73 44.01 0.42 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.76 -11.22 30.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -85.07 78.61 9.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 3.7 ptmt -101.27 177.95 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 17' ' ' GLU . 5.2 t -98.55 69.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 15' ' ' CYS . 9.7 m-80 -31.77 -36.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . 21.3 mt-10 -47.6 -51.5 21.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -110.89 -39.34 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' C ' ' HE2' ' A' ' 14' ' ' LYS . . . 108.85 43.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtm? -107.56 129.76 54.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.561 ' HB1' ' HE3' ' A' ' 11' ' ' LYS . . . -93.48 133.92 36.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 8.8 m-85 -120.72 157.05 30.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -61.53 -39.68 91.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -148.78 172.19 15.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.1 m -51.5 -57.21 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.2 t -40.69 -56.4 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.804 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -51.67 -44.14 62.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 5.2 tp -60.69 -56.38 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.29 -61.31 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -37.86 -28.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.921 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.5 t60 -88.34 -51.68 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -45.33 -19.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 36' ' ' THR . 7.1 mmm180 -59.88 -11.55 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.921 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.81 -9.44 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.634 ' N ' HD13 ' A' ' 34' ' ' ILE . 51.1 m-70 -93.11 6.62 47.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 33' ' ' ARG . 7.2 t -95.51 -37.69 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.99 -58.45 0.61 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -76.25 131.44 39.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -125.91 156.27 71.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.48 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.733 2.288 . . . . 0.0 112.314 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.9 t -164.97 132.42 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.78 122.8 4.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 133.33 25.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.233 . . . . 0.0 112.35 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.0 p -75.98 122.64 24.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -48.69 123.33 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.508 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -149.68 149.79 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -168.17 127.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.31 -174.88 29.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -102.26 145.09 29.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -79.19 -53.74 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.24 177.26 14.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' THR . 10.0 t -134.06 117.05 16.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.148 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.22 175.52 36.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 12.1 mm-40 -70.17 110.98 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -124.51 44.35 1.03 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.893 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.76 -15.15 36.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 30.0 m-85 -89.53 36.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -75.54 160.46 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.89 107.93 10.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -64.02 -17.75 63.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.51 -62.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.31 -45.74 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.462 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 114.29 38.13 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 1.8 tmtm? -87.63 119.92 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.78 118.89 25.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 28.2 m-85 -108.14 -176.22 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -109.66 -15.35 14.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -154.75 160.98 41.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 m -58.71 -43.94 90.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -52.88 -52.03 58.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -55.23 -47.78 74.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tp -53.15 -54.52 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.3 -61.48 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 15.8 ttm180 -38.5 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.988 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.3 t60 -88.78 -53.94 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -43.85 -19.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.8 mmm-85 -59.04 -11.62 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.988 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -95.5 2.55 9.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.825 ' N ' HD13 ' A' ' 34' ' ' ILE . 43.9 m-70 -101.6 -11.5 19.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.8 t -93.51 -38.47 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.93 130.8 6.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -116.95 -33.04 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -163.85 152.8 11.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.708 . . . . 0.0 110.857 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 113.7 3.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -118.06 176.41 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.93 160.23 25.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 120.33 7.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -94.95 -59.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 t -48.44 132.65 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -100.8 87.52 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t 41.43 42.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.32 -135.71 13.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t 58.11 40.02 25.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.373 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -111.32 93.68 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.97 151.26 22.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -128.78 35.07 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.39 165.3 38.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.96 112.06 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.93 43.89 1.18 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.698 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.2 Cg_endo -69.75 -17.18 37.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.387 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -82.81 78.5 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.6 ' HZ2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -109.2 -177.72 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 5.3 t -98.35 107.62 20.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.82 7.88 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -99.38 -31.45 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -129.72 -28.37 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.516 ' C ' ' CE ' ' A' ' 14' ' ' LYS . . . 94.6 39.43 4.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.459 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.16 130.0 47.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.3 m-85 -117.28 172.29 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.6 m -85.49 -38.38 18.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -140.62 160.24 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.5 m -48.59 -49.72 35.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -47.54 -53.12 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -52.34 -43.62 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . 9.6 tp -59.43 -61.16 2.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -49.06 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -37.77 -27.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.817 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.8 t60 -89.89 -48.92 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -49.29 -17.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 9.2 mmm180 -59.92 -18.56 45.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.817 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -88.22 -2.75 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.697 ' N ' HD13 ' A' ' 34' ' ' ILE . 42.2 m-70 -99.03 -33.5 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 t -65.15 142.46 58.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.55 105.68 2.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -108.12 -36.52 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -98.02 155.94 36.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.75 -7.63 21.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.379 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' PRO . 26.0 t -37.43 -61.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.63 -168.66 33.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.37 3.61 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -145.25 152.03 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.7 m -76.53 82.06 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.509 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -86.83 146.95 26.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -87.75 161.36 17.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.01 99.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -85.96 41.61 0.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -66.59 137.48 56.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.1 36.5 0.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 t -171.64 159.96 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.73 -160.2 16.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 2.4 mp0 -102.78 111.19 23.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.406 . . . . 0.0 110.877 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -127.43 44.17 1.22 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.896 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.81 -15.33 36.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -85.12 34.14 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 151.75 38.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.0 t -71.65 104.77 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -58.0 -24.66 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -66.69 -70.12 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -90.08 -41.77 11.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.63 44.4 1.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 1.4 tmtm? -98.03 126.98 43.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -87.61 128.51 35.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 31.5 m-85 -123.88 122.49 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -65.8 -14.33 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -131.72 133.58 44.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -56.19 -37.17 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.3 t -63.16 -39.76 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 2.7 mptt -61.25 -42.98 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 tp -57.73 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.02 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -45.85 -23.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.806 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.6 t60 -92.74 -48.11 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -49.61 -18.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -58.96 -21.04 57.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -88.55 2.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.685 ' N ' HD13 ' A' ' 34' ' ' ILE . 30.4 m-70 -101.97 -32.33 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.9 -10.82 6.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.41 93.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -105.74 -45.71 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.904 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -157.41 168.07 13.22 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 -21.32 33.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 t -63.77 107.97 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.9 -164.59 35.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m 50.89 38.43 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 t 41.68 41.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.482 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -91.67 133.29 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 m -41.37 140.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.13 39.46 2.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 m -138.84 120.96 15.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -136.31 119.92 17.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.18 101.02 1.95 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.7 p -136.55 134.61 37.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.02 165.81 13.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.66 111.23 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.603 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -126.87 44.25 1.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.8 -11.87 31.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.49 80.96 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.51 140.81 42.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -61.93 106.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -63.28 -21.57 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.44 -65.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -94.57 -46.99 6.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.97 45.8 0.68 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 2.4 tmtm? -98.43 126.9 44.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.16 125.97 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.051 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 19.3 m-85 -118.5 153.2 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.3 p -79.59 -31.53 41.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -137.55 157.25 46.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.2 m -56.94 -57.1 14.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.1 t -40.0 -37.93 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -67.15 -51.43 53.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -52.37 -53.75 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.28 -60.39 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -39.73 -25.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.776 ' O ' HD12 ' A' ' 34' ' ' ILE . 3.7 t60 -92.17 -49.72 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -48.98 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -58.34 -21.0 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -89.28 -10.49 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.711 ' N ' HD13 ' A' ' 34' ' ' ILE . 6.8 m-70 -86.26 -26.68 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 37' ' ' GLY . 10.3 t -81.89 -47.96 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' N ' HG23 ' A' ' 36' ' ' THR . . . 151.18 -54.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -96.42 158.27 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 1.1 pttm -147.82 168.34 11.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 54.6 Cg_endo -69.73 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.381 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t 75.05 51.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.76 158.04 22.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 161.28 46.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.2 p -104.45 158.25 16.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 m -130.87 41.04 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.466 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -67.1 -62.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -72.22 143.79 48.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.24 -71.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -82.63 45.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -116.09 127.51 54.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.36 91.72 0.65 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 p -130.24 106.82 8.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.125 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.08 -158.63 26.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 9.2 mp0 -93.31 101.99 14.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.398 . . . . 0.0 110.854 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -117.0 42.52 0.37 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.4 Cg_endo -69.7 -14.92 36.97 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -84.1 36.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 155.83 39.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.5 122.03 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -75.74 -7.94 55.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -87.08 -66.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.0 p -91.42 -46.06 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.46 43.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.2 tmtm? -95.5 128.85 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.92 117.4 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 11.8 m-85 -107.82 170.04 8.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -79.39 -60.58 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -117.64 154.72 31.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 m -43.37 -50.08 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.1 p -45.56 -43.18 11.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 22' ' ' PHE . 31.6 mmtm -59.99 -44.36 94.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.26 -59.93 4.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -52.14 -62.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 12.4 tpt180 -39.07 -26.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.891 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.9 t60 -90.53 -50.55 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -46.94 -18.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 10.3 mmm180 -59.71 -13.73 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -92.09 -0.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.639 ' N ' HD13 ' A' ' 34' ' ' ILE . 55.9 m-70 -100.22 -25.59 14.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 38' ' ' GLU . 3.1 t -78.25 -22.47 48.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.64 -22.76 38.4 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' H ' HG23 ' A' ' 36' ' ' THR . 3.7 tp10 -85.46 131.73 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.3 OUTLIER -151.65 168.13 11.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.586 0.708 . . . . 0.0 110.943 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.77 -44.54 2.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.4 p -88.62 87.47 7.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.39 145.22 2.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 169.32 19.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.307 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -121.62 -51.23 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -172.54 172.8 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.465 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 t -68.69 83.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -71.15 168.97 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.95 155.63 8.59 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -147.3 149.71 33.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -123.94 87.9 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.99 -158.09 34.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -156.67 145.87 20.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.52 -165.34 37.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -116.6 111.05 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -125.16 44.07 1.03 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.697 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.7 -15.69 37.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -85.33 33.62 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 148.54 30.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.71 108.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -26.64 68.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.81 -66.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.66 -46.51 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.19 44.92 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 2.1 tmtm? -94.33 131.59 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -94.97 121.34 36.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 14.9 m-85 -113.82 155.89 24.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.5 m -75.54 -50.05 16.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -126.28 155.51 41.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -50.06 -39.59 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -53.59 -37.33 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -43.18 67.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.06 -61.64 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -44.34 -62.14 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ALA . 33.8 ttt-85 -35.58 -36.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.5 t60 -86.5 -40.11 15.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' ALA . 23.3 mt-30 -52.86 -21.59 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 2.4 mmt180 -95.29 17.6 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.5 pp -105.32 -31.56 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' N ' HG13 ' A' ' 34' ' ' ILE . 72.9 m-70 -56.23 -33.79 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.0 -43.46 29.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.71 -35.11 0.23 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -74.72 -174.69 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.99 0.424 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.68 153.53 2.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.95 20.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.6 p -78.13 46.72 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.07 126.49 3.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -11.88 31.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.293 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -55.9 -62.48 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.3 m -131.64 176.94 7.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -74.14 171.91 12.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -63.77 94.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.56 75.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -70.58 -49.16 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 p -118.88 141.35 48.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.89 99.38 0.57 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.9 p -134.5 164.8 26.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.818 0.342 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.79 168.77 43.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 46.8 mt-10 -45.2 110.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.694 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -122.21 38.34 0.35 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.72 -27.83 26.16 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -75.74 83.63 2.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -107.83 150.36 27.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -68.12 108.96 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.438 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 3.6 m-80 -64.13 -18.66 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.64 -67.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -93.89 -49.49 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 119.71 40.74 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 3.3 tmtt? -90.58 129.57 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.84 118.03 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 11.1 m-85 -109.62 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -97.95 -49.95 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -118.4 146.7 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -45.86 -40.96 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -55.11 -44.11 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -46.44 88.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -53.85 -54.61 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.08 -63.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 26.4 ttt180 -37.3 -28.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.898 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.0 t60 -87.86 -52.39 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -46.55 -18.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 13.7 mmm-85 -60.03 -12.83 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.47 -5.94 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.625 ' N ' HD13 ' A' ' 34' ' ' ILE . 41.7 m-70 -95.25 -27.23 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 37' ' ' GLY . 5.6 t -71.72 -46.24 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 36' ' ' THR . . . 111.99 76.39 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -110.23 -61.57 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 152.58 93.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.236 . . . . 0.0 112.327 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -154.34 155.71 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.57 -121.55 1.03 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -48.1 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.2 p -109.94 91.25 3.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 t -142.37 116.32 9.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.485 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -86.7 161.23 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.815 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -136.49 123.23 21.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.62 137.38 8.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -135.49 159.28 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -158.67 124.18 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.35 -178.45 52.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 p -115.71 -6.7 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.348 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.92 -155.51 25.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 6.1 mt-10 -103.33 99.22 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -117.21 45.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 110.905 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.8 -20.41 34.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -76.94 84.18 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' NZ ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -110.06 162.56 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.52 115.8 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.52 -9.76 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.63 -59.93 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -100.49 -43.1 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 112.01 30.88 2.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 5.7 tmtt? -81.01 123.36 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.38 121.54 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 15.4 m-85 -112.26 162.89 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -75.03 -52.66 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -124.22 168.77 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 m -58.81 -52.94 63.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -44.53 -40.81 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -63.46 -49.78 72.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.72 -62.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' GLN . . . -42.41 -60.71 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.031 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -37.88 -35.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' HA ' HG23 ' A' ' 34' ' ' ILE . 7.8 t60 -87.06 -34.47 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' ALA . 20.9 mt-30 -58.68 -16.5 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.28 5.47 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.563 HG23 ' HA ' ' A' ' 31' ' ' HIS . 1.3 pp -93.27 -32.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 34' ' ' ILE . 69.4 m-70 -52.24 -42.69 63.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.99 -48.6 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.67 44.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.89 -67.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HZ3' ' HG3' ' A' ' 43' ' ' PRO . 8.1 mtmp? -69.05 153.96 95.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.2 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 m -42.93 127.23 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.69 -115.67 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HG3' ' HZ3' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.75 1.39 4.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.357 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 43' ' ' PRO . 59.9 p -34.24 122.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 p 44.16 49.52 7.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.483 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -70.03 161.28 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -121.33 131.34 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.55 175.86 14.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -39.16 -62.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -48.61 152.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.57 -96.34 0.22 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.8 p -96.33 -50.4 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.03 -167.8 6.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' C ' ' CD ' ' A' ' 12' ' ' PRO . 22.2 mt-10 -75.66 109.78 9.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.609 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -124.72 44.33 1.05 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.552 0.691 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -13.52 34.82 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 37.6 m-85 -90.79 31.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 138.62 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -54.95 118.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.34 -22.48 44.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.72 -58.63 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -101.17 -47.32 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.46 44.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -104.19 124.12 48.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.78 128.47 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -114.1 176.45 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -86.44 -46.39 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -129.23 167.76 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -57.22 -44.85 84.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -50.49 -51.23 49.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -54.74 -45.3 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tp -55.07 -55.4 31.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' HIS . . . -54.99 -61.22 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 19.1 ttp180 -37.62 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.4 t60 -87.68 -51.39 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -46.16 -18.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HG2' ' C ' ' A' ' 30' ' ' ARG . 13.8 mmm-85 -59.88 -12.13 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -94.45 -0.08 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.618 ' N ' HD13 ' A' ' 34' ' ' ILE . 46.2 m-70 -101.93 25.29 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.7 t -140.87 129.37 22.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.55 125.56 8.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.85 -47.76 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -129.59 167.97 18.17 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.77 -12.64 33.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.4 m -58.82 135.31 57.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 136.18 111.25 1.09 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.524 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 54.0 Cg_endo -69.72 -6.24 18.09 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -37.86 135.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -147.49 135.33 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.556 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_