data_6qes_residue ############################ # Computer software used # ############################ 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 6qes _Structure_validation_residue.Date_analyzed 2019-12-13 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 ' 2' ' ' PRO . . . . . 0.439 ' HB2' ' H ' ' A' ' 3' ' ' ARG . 5.0 Cg_exo . . . . . 0 CA--C 1.534 0.501 0 N-CA-C 115.358 1.253 . . . . 0.0 115.358 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.439 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 14.0 ptm180 -161.31 -52.75 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.7 m-20 -110.25 -3.03 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -57.41 -49.62 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.087 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.442 ' HA ' HG12 ' A' ' 9' ' ' VAL . 13.7 m -63.87 -27.01 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.748 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 66.2 ttt180 -65.96 -50.67 63.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.915 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 m -74.64 -37.43 62.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.122 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 6' ' ' SER . 14.5 p -73.27 -15.32 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.333 0.587 . . . . 0.0 110.089 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.34 -17.62 68.58 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 171.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -89.5 -117.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -154.29 107.97 2.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.44 -138.02 5.42 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.66 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -166.75 172.48 10.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.223 0.535 . . . . 0.0 111.795 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -112.01 133.39 54.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.556 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.446 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 29.1 pt -126.26 156.32 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 110.833 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.567 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 83.63 6.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.878 170.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 t 178.3 153.13 0.32 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -99.84 5.06 45.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.728 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.8 t -123.06 108.05 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.081 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.9 m -79.02 135.85 58.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.459 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.3 Cg_endo -64.07 146.17 90.51 Favored 'Trans proline' 0 CA--C 1.518 -0.307 0 C-N-CA 122.784 2.323 . . . . 0.0 111.237 174.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -90.38 150.95 43.85 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-O 121.118 0.485 . . . . 0.0 111.383 -176.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -90.8 113.13 1.86 Allowed 'Cis proline' 0 N--CA 1.453 -0.906 0 C-N-CA 121.881 -2.133 . . . . 0.0 112.775 -1.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 51.7 m-85 -155.72 157.98 37.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.077 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.51 147.72 43.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.85 89.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.609 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 13.1 t80 -84.0 90.35 7.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.767 -178.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.47 -120.98 15.28 Favored Glycine 0 C--N 1.332 0.342 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.148 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 p -140.97 138.44 33.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.481 0.658 . . . . 0.0 111.435 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.6 m -92.55 -160.99 0.79 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.231 173.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.446 ' H ' ' HB3' ' A' ' 31' ' ' CYS . 5.9 m -21.89 107.09 0.02 OUTLIER 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.602 1.189 . . . . 0.0 113.2 -176.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.7 m95 61.3 -120.7 0.79 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.872 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -130.94 25.78 4.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.653 0.74 . . . . 0.0 109.621 172.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -98.92 -38.99 8.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.93 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -107.68 145.08 33.87 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.686 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.3 m -101.18 144.77 29.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.9 m -85.65 127.95 34.63 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.448 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -111.88 107.98 17.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.252 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.29 179.39 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 30.8 Cg_exo . . . . . 0 CA--C 1.534 0.497 0 N-CA-C 115.146 1.172 . . . . 0.0 115.146 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 33' ' ' TRP . 14.7 ptm180 -161.05 -47.5 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.6 m-20 -119.84 -2.49 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.714 0.292 . . . . 0.0 111.374 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -56.04 -55.72 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.876 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -64.82 -26.15 68.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.03 -42.09 76.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.094 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 t -75.85 -20.77 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.223 0.535 . . . . 0.0 109.687 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.59 -33.86 63.27 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 171.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -86.23 -117.75 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 169.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.459 ' O ' HG11 ' A' ' 40' ' ' VAL . 65.3 m-70 -157.23 106.49 2.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.7 -143.56 7.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.639 -1.267 . . . . 0.0 112.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -164.13 175.97 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.109 0.481 . . . . 0.0 111.445 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.21 134.87 49.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.437 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.423 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 10.0 pt -130.27 151.26 35.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.771 176.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.573 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.02 84.38 6.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 169.508 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t 176.62 152.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -96.41 11.6 34.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.116 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -122.76 103.23 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m -82.92 141.45 43.88 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 43.8 Cg_endo -73.9 153.86 47.85 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.74 2.294 . . . . 0.0 110.943 175.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -95.41 148.47 34.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-O 121.176 0.513 . . . . 0.0 111.503 -176.5 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.07 113.67 1.73 Allowed 'Cis proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.097 -2.043 . . . . 0.0 113.07 -2.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.507 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 35.1 m-85 -154.29 157.68 39.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.139 174.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 139.55 49.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.45 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 89.8 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 110.151 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.598 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 23.2 t80 -83.45 88.94 6.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.129 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.61 -103.53 0.05 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.845 0.716 . . . . 0.0 113.4 174.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -137.76 157.98 45.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.595 0.712 . . . . 0.0 111.288 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.18 -157.98 0.66 Allowed 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.473 -1.24 . . . . 0.0 107.81 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.0 m -31.5 104.78 0.03 OUTLIER 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.711 0.632 . . . . 0.0 111.684 172.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.514 ' C ' ' H ' ' A' ' 35' ' ' GLN . 33.5 m95 57.1 169.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.085 -178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -76.57 25.34 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.286 0.565 . . . . 0.0 110.905 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.514 ' H ' ' C ' ' A' ' 33' ' ' TRP . 15.6 mm-40 -104.03 -31.5 9.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.925 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -115.13 144.9 42.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.855 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.4 m -100.79 147.08 26.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.598 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 7.4 t -87.21 140.67 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.6 m -120.9 108.99 14.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.27 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.459 HG11 ' O ' ' A' ' 12' ' ' HIS . 4.9 m . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.443 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.499 ' CG ' ' HB3' ' A' ' 32' ' ' SER . 31.2 Cg_exo . . . . . 0 CA--C 1.531 0.353 0 N-CA-C 115.072 1.143 . . . . 0.0 115.072 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.432 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.3 ptm180 -161.92 -51.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.6 0.238 . . . . 0.0 111.538 -174.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.407 ' O ' HG11 ' A' ' 9' ' ' VAL . 3.3 m -53.98 -54.49 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.91 0.386 . . . . 0.0 111.101 176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.46 ' HA ' HG11 ' A' ' 9' ' ' VAL . 6.9 m -61.83 -30.95 71.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.588 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -64.77 -50.43 66.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.178 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.3 t -63.92 -41.3 97.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.759 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 6' ' ' SER . 12.6 p -79.46 -7.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.501 0.667 . . . . 0.0 110.285 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -20.39 75.54 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -95.24 -125.74 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -155.85 106.15 2.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.22 -134.11 3.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.983 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -164.21 173.8 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 111.45 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.5 m -117.35 123.72 47.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.069 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.2 pt -113.78 148.8 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.206 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.08 81.13 6.85 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.662 0.744 . . . . 0.0 109.845 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 m 178.92 178.0 0.47 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.3 -1.318 . . . . 0.0 107.532 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -127.17 28.91 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.432 0.635 . . . . 0.0 110.2 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.27 101.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.713 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.7 m -87.87 126.83 60.08 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -70.8 148.92 59.4 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.705 2.27 . . . . 0.0 111.592 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -77.7 150.68 79.18 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 121.289 0.566 . . . . 0.0 111.952 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -91.92 111.6 1.27 Allowed 'Cis proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.609 -2.246 . . . . 0.0 112.058 -6.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -157.31 158.95 36.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.71 145.72 41.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.539 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 88.92 1.35 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.197 0.523 . . . . 0.0 110.001 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.596 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 25.4 t80 -85.11 90.22 7.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.153 -176.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.79 -115.43 1.93 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.235 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.7 p -137.98 151.25 47.75 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.655 0.741 . . . . 0.0 111.483 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HB3' ' H ' ' A' ' 32' ' ' SER . 1.3 m -104.85 -157.6 0.62 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.105 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.499 ' HB3' ' CG ' ' A' ' 2' ' ' PRO . 1.8 m -29.75 104.25 0.03 OUTLIER 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.679 0.612 . . . . 0.0 112.109 171.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.52 ' C ' ' H ' ' A' ' 35' ' ' GLN . 28.7 m95 55.96 169.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.58 -176.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -73.02 14.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.685 -0.635 . . . . 0.0 111.335 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.52 ' H ' ' C ' ' A' ' 33' ' ' TRP . 23.9 mm-40 -93.38 -47.01 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.025 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -94.23 139.13 31.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.791 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.8 m -101.82 145.63 28.91 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.596 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 29.4 t -84.28 134.73 34.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.686 0.279 . . . . 0.0 110.262 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -116.84 108.95 16.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.42 HG12 ' SG ' ' A' ' 38' ' ' CYS . 7.9 m . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.704 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.422 ' CB ' ' HA ' ' A' ' 32' ' ' SER . 36.4 Cg_exo . . . . . 0 CA--C 1.532 0.386 0 N-CA-C 113.667 0.603 . . . . 0.0 113.667 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 14.8 ptm180 -160.49 -49.1 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.1 m-20 -126.14 -2.68 7.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -172.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' HG21 ' A' ' 9' ' ' VAL . 1.8 m -47.26 -63.16 1.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -63.77 -25.5 68.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 -175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 34.7 ttm180 -63.23 -50.06 71.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 38' ' ' CYS . 38.4 m -73.43 -41.61 63.04 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 5' ' ' THR . 13.2 t -71.53 -20.45 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.305 0.574 . . . . 0.0 109.962 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.54 -26.08 66.08 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.827 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -79.26 -106.88 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.431 ' O ' HG11 ' A' ' 40' ' ' VAL . 83.9 m-70 -153.84 105.74 2.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.06 -143.12 9.58 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.609 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.55 ' CE1' HG23 ' A' ' 16' ' ' ILE . 5.9 p90 -161.67 179.89 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.563 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.4 136.31 49.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.83 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.55 HG23 ' CE1' ' A' ' 14' ' ' TYR . 5.2 pt -131.56 149.98 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.529 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.98 86.02 6.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.076 0.465 . . . . 0.0 109.795 170.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 t 177.88 149.35 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.241 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -91.99 -2.09 56.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.17 0.51 . . . . 0.0 110.5 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.2 t -114.53 108.8 26.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.957 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 m -81.15 129.59 66.38 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.159 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.503 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 22.1 Cg_endo -63.79 148.08 92.11 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.038 2.492 . . . . 0.0 111.864 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -83.18 147.77 54.56 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-O 120.969 0.414 . . . . 0.0 111.263 -179.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -92.38 114.36 1.85 Allowed 'Cis proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.45 -6.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 28.3 m-85 -156.45 159.71 38.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.087 177.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.82 138.36 51.56 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.523 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.59 101.74 3.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.314 0.578 . . . . 0.0 110.017 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.611 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 8.5 t80 -97.12 96.06 8.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.832 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.67 -119.38 5.71 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.446 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.0 p -140.95 138.65 33.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 111.151 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.2 m -89.56 -158.03 0.49 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.937 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 2' ' ' PRO . 2.2 m -34.23 103.53 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 123.732 0.645 . . . . 0.0 111.265 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.495 ' C ' ' H ' ' A' ' 35' ' ' GLN . 21.7 m95 55.78 172.87 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.525 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -78.72 26.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.48 -0.762 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' A' ' 33' ' ' TRP . 17.3 mm-40 -101.66 -29.27 12.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.716 -178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -118.73 138.29 52.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.508 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 m -100.5 146.16 27.4 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.2 m -85.38 134.73 34.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.2 m -118.35 110.32 17.35 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.79 0.328 . . . . 0.0 110.249 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 HG11 ' O ' ' A' ' 12' ' ' HIS . 4.1 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.47 ' HB2' ' H ' ' A' ' 3' ' ' ARG . 46.6 Cg_exo . . . . . 0 CA--C 1.529 0.253 0 N-CA-C 114.02 0.738 . . . . 0.0 114.02 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.2 ptm180 -161.66 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.258 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.442 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.2 m-20 -120.41 -2.68 10.0 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -48.53 -56.95 6.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.502 ' HA ' HG13 ' A' ' 9' ' ' VAL . 42.6 m -68.44 -24.0 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 111.335 -174.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -70.12 -41.78 73.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.998 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.41 -43.21 67.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.731 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 6' ' ' SER . 13.1 p -79.46 -9.25 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.09 -21.98 70.3 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 170.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.53 -116.92 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -158.0 106.85 2.04 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.12 -139.43 5.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.265 -0.969 . . . . 0.0 112.2 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -166.59 174.99 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 0.0 111.636 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.1 m -104.5 137.08 42.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.814 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.2 pt -129.92 149.1 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.23 85.03 6.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.855 0.836 . . . . 0.0 110.302 170.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 t 179.15 162.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.323 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -106.13 9.42 32.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.894 0.378 . . . . 0.0 110.694 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.05 105.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.876 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.5 m -82.2 130.2 60.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.485 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 29.3 Cg_endo -67.19 150.73 81.9 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.818 2.345 . . . . 0.0 111.679 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -85.55 151.51 55.96 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 121.388 0.613 . . . . 0.0 112.034 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -91.11 112.47 1.62 Allowed 'Cis proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.747 -2.189 . . . . 0.0 112.08 -4.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 54.7 m-85 -156.01 155.52 32.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.676 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.35 145.4 41.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.98 89.71 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.266 0.555 . . . . 0.0 110.005 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.682 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.9 t80 -85.17 89.47 7.64 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.995 -177.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.93 -109.24 0.44 Allowed Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.236 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p -139.08 156.16 47.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.279 0.561 . . . . 0.0 110.99 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.62 -158.37 0.65 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 174.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.3 m -34.28 104.43 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 123.529 0.518 . . . . 0.0 111.429 172.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.538 ' C ' ' H ' ' A' ' 35' ' ' GLN . 31.5 m95 57.79 167.85 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.566 -177.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -76.95 26.19 0.14 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.528 -0.732 . . . . 0.0 110.639 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.538 ' H ' ' C ' ' A' ' 33' ' ' TRP . 19.4 mm-40 -103.19 -28.06 12.14 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.344 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.74 138.5 52.62 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.348 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.6 m -99.26 145.16 27.57 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.682 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 13.8 t -82.38 132.69 35.21 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.058 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.0 m -118.56 112.18 19.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.971 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.83 -179.106 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.463 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 69.7 Cg_exo . . . . . 0 CA--C 1.53 0.309 0 N-CA-C 114.181 0.8 . . . . 0.0 114.181 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.444 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.5 ptm180 -162.78 -51.98 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.717 0.294 . . . . 0.0 111.442 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 -10.1 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -46.99 -51.62 16.69 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -59.48 -39.37 83.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.019 0.438 . . . . 0.0 111.026 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -63.01 -42.99 99.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.32 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.1 t -68.6 -42.57 78.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.4 p -78.72 -16.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.897 0.38 . . . . 0.0 110.981 -174.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.45 -21.57 66.79 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -90.2 -116.9 0.07 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.516 ' O ' HG11 ' A' ' 40' ' ' VAL . 67.9 m-70 -160.34 106.52 1.53 Allowed 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.22 -138.79 5.27 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 119.94 -1.124 . . . . 0.0 112.034 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -170.25 171.44 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.179 0.514 . . . . 0.0 111.4 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.52 131.03 55.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.765 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -124.86 153.92 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.033 0.444 . . . . 0.0 110.629 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -86.13 83.3 7.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.628 0.728 . . . . 0.0 110.162 171.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 t 177.7 171.97 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -120.34 10.06 11.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 174.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.82 105.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.551 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.22 131.03 52.01 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.046 0.45 . . . . 0.0 111.922 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.525 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.4 Cg_endo -63.17 154.57 66.8 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.131 2.554 . . . . 0.0 111.428 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 3.4 mptp? -96.05 150.42 37.23 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 121.166 0.507 . . . . 0.0 111.663 -175.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -90.97 113.81 2.04 Favored 'Cis proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.053 -2.061 . . . . 0.0 112.604 -4.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.525 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 50.2 m-85 -157.41 151.52 24.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.59 144.74 34.18 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.19 88.87 1.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.518 . . . . 0.0 109.77 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.586 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.5 t80 -81.71 94.22 6.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.187 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.04 -106.86 0.2 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.995 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 p -144.09 157.08 44.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.555 0.693 . . . . 0.0 110.998 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.24 -158.13 0.64 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.668 175.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.463 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.2 m -31.97 105.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.859 0.724 . . . . 0.0 111.516 170.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.541 ' C ' ' H ' ' A' ' 35' ' ' GLN . 32.6 m95 56.57 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.657 -175.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.09 25.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.513 0.673 . . . . 0.0 110.698 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.541 ' H ' ' C ' ' A' ' 33' ' ' TRP . 16.9 mm-40 -103.82 -41.71 5.82 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.083 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -103.57 139.73 38.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 m -100.49 147.07 26.3 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 20.1 t -84.13 135.6 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.509 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -117.98 109.12 16.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.259 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 12' ' ' HIS . 5.4 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 44.1 Cg_exo . . . . . 0 CA--C 1.53 0.293 0 N-CA-C 114.526 0.933 . . . . 0.0 114.526 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.442 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 11.9 ttt180 -161.3 -77.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.468 -175.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.408 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 1.1 m-20 -85.53 -3.14 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.066 -178.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -57.88 -50.36 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.163 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -61.3 -32.23 72.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 110.358 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -67.01 -49.44 65.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.372 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.61 -41.97 98.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.958 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.84 -12.4 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.331 0.586 . . . . 0.0 110.283 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -22.77 69.52 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 170.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.01 -120.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -157.47 106.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.9 -138.22 5.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.519 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -163.94 169.65 17.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.8 m -108.96 132.92 53.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.868 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 pt -124.36 151.09 29.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.413 . . . . 0.0 110.509 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.575 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.86 83.15 6.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.245 0.545 . . . . 0.0 109.758 170.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -176.71 152.23 0.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.61 -9.5 34.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.348 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.75 119.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.025 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 m -88.15 137.81 30.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.86 0.362 . . . . 0.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 34.7 Cg_endo -69.04 157.31 62.28 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.896 2.398 . . . . 0.0 111.645 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.5 148.86 45.27 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -96.01 110.62 0.7 Allowed 'Cis proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.155 -1.602 . . . . 0.0 111.107 -3.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 64.9 m-85 -156.79 157.14 34.47 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.884 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.42 142.0 46.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.135 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 89.56 0.69 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.65 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -82.32 92.63 7.0 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.823 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.35 -105.68 0.11 Allowed Glycine 0 N--CA 1.448 -0.528 0 O-C-N 123.788 0.68 . . . . 0.0 113.27 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 p -146.06 155.05 42.52 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.98 0.895 . . . . 0.0 111.583 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 1.7 m -110.72 -160.64 0.72 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.839 170.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.7 m -20.78 108.06 0.02 OUTLIER 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.689 1.243 . . . . 0.0 113.378 -176.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 39.5 m95 61.85 -116.31 0.6 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.615 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.91 25.43 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 108.958 168.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -92.83 -43.81 8.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.761 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.43 150.86 25.64 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.0 m -101.44 144.37 30.31 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.65 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 35.8 t -86.7 132.82 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.3 m -118.92 109.99 16.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.251 1.143 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.19 179.341 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.478 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 24.7 Cg_exo . . . . . 0 CA--C 1.533 0.435 0 N-CA-C 115.682 1.378 . . . . 0.0 115.682 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.436 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 10.5 ptm180 -161.44 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -119.79 -7.76 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -52.64 -57.78 8.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -59.73 -36.44 76.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.723 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -61.81 -50.47 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.563 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.7 t -65.61 -42.74 91.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.125 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 p -76.91 -12.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 0.0 110.661 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.36 71.56 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 171.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -89.73 -120.61 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -155.73 105.98 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.62 -139.61 6.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -167.58 173.35 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 111.919 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.8 m -100.56 137.53 38.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.957 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.7 pt -130.57 148.73 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.507 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.585 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.32 85.41 6.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.674 0.749 . . . . 0.0 109.801 171.676 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.0 m -172.33 167.92 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.227 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 8.6 mmpt? -105.68 -7.72 18.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.206 0.527 . . . . 0.0 109.883 176.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -119.96 120.58 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.038 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -85.73 139.45 35.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.678 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 36.7 Cg_endo -70.08 148.45 63.05 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.704 2.27 . . . . 0.0 111.695 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -84.36 149.55 55.34 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -91.87 113.23 1.66 Allowed 'Cis proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.024 -2.073 . . . . 0.0 112.221 -5.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 46.4 m-85 -156.94 156.1 32.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.544 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.82 147.35 35.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.436 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.77 90.9 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.932 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.698 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -87.8 89.55 8.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.891 -177.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.38 -103.35 0.07 OUTLIER Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 113.332 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 p -144.15 159.93 41.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -176.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.53 -158.09 0.69 Allowed 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.1 m -32.02 104.51 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.565 0.541 . . . . 0.0 111.791 173.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.479 ' C ' ' H ' ' A' ' 35' ' ' GLN . 35.3 m95 56.19 172.66 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.039 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -78.36 26.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.792 -0.567 . . . . 0.0 110.941 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 33' ' ' TRP . 65.9 mm-40 -104.43 -33.58 8.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.024 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -112.39 139.89 47.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.445 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.5 m -99.96 141.97 32.06 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.698 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 12.2 t -79.74 131.34 35.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.4 m -117.92 111.29 18.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.099 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.683 -178.377 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.411 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 51.5 Cg_exo . . . . . 0 CA--C 1.527 0.134 0 N-CA-C 114.601 0.962 . . . . 0.0 114.601 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.463 ' HD3' ' OD1' ' A' ' 4' ' ' ASP . 17.3 ttt-85 -160.91 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.54 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.463 ' OD1' ' HD3' ' A' ' 3' ' ' ARG . 27.3 m-20 -88.73 -6.1 57.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.153 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -49.29 -48.29 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.959 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -61.8 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.98 -45.67 90.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.318 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.07 -42.26 89.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.907 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -80.1 -10.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.264 0.554 . . . . 0.0 110.619 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.73 -17.75 71.5 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.0 -117.23 0.15 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.461 ' O ' HG12 ' A' ' 40' ' ' VAL . 79.7 m-70 -158.72 106.77 1.89 Allowed 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.87 -145.41 10.23 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.832 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.4 ' CE1' HG22 ' A' ' 16' ' ' ILE . 14.8 p90 -163.02 175.02 11.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 111.8 -175.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -107.75 121.02 43.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.955 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.4 HG22 ' CE1' ' A' ' 14' ' ' TYR . 10.6 pt -112.66 147.2 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 0.0 110.626 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.626 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -85.61 84.5 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.919 0.866 . . . . 0.0 109.358 172.011 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t 177.83 165.97 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.091 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -109.52 7.92 24.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.255 0.55 . . . . 0.0 109.822 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.84 115.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.057 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.4 m -88.41 135.97 32.13 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 111.902 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 38.0 Cg_endo -73.26 148.99 44.73 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.701 2.267 . . . . 0.0 111.563 173.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -83.07 150.86 62.32 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.155 0.502 . . . . 0.0 111.909 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.79 112.56 1.51 Allowed 'Cis proline' 0 N--CA 1.452 -0.97 0 C-N-CA 121.878 -2.134 . . . . 0.0 112.161 -3.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 45.8 m-85 -157.41 158.47 35.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.235 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.66 40.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.032 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.09 89.36 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.265 0.555 . . . . 0.0 110.18 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.664 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 18.0 t80 -84.81 93.88 8.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.242 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -108.26 0.39 Allowed Glycine 0 C--N 1.334 0.421 0 CA-C-N 116.097 -0.502 . . . . 0.0 113.072 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -142.55 159.51 42.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.324 0.583 . . . . 0.0 110.166 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.33 -158.75 0.66 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 173.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.411 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.8 m -33.03 104.77 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 123.491 0.494 . . . . 0.0 111.904 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.505 ' C ' ' H ' ' A' ' 35' ' ' GLN . 43.8 m95 58.57 167.94 0.05 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.792 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.33 26.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.332 0.587 . . . . 0.0 111.113 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 33' ' ' TRP . 63.8 mm-40 -104.36 -40.31 6.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.875 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 3.4 mmmm -103.7 138.44 40.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.376 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.4 m -97.56 144.25 27.44 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.664 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.8 t -81.21 131.0 35.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.49 110.57 19.47 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.142 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 12' ' ' HIS . 5.7 m . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.311 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.457 ' HB2' ' H ' ' A' ' 3' ' ' ARG . 13.4 Cg_exo . . . . . 0 CA--C 1.532 0.388 0 N-CA-C 115.523 1.316 . . . . 0.0 115.523 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.529 ' HG2' ' CE3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -161.65 -53.99 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -176.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -107.28 -6.32 17.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.586 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -53.22 -48.54 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.435 ' HA ' HG11 ' A' ' 9' ' ' VAL . 15.6 m -62.2 -31.71 72.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 0.0 111.052 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.92 -46.84 73.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.963 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -62.99 -41.96 99.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.608 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 6' ' ' SER . 14.2 p -81.46 -9.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.35 0.595 . . . . 0.0 110.325 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.71 72.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 169.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -91.02 -121.89 0.07 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -158.42 107.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.33 -133.93 2.97 Favored Glycine 0 CA--C 1.505 -0.537 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.267 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -168.22 171.69 9.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.231 0.538 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.1 m -107.56 133.2 52.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.877 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.3 pt -123.85 146.89 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.173 0.511 . . . . 0.0 110.893 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -88.2 86.76 7.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.446 0.641 . . . . 0.0 109.688 167.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.6 t -178.89 173.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -112.2 -5.39 14.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -119.36 120.37 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -93.58 133.72 27.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.105 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.502 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 30.2 Cg_endo -66.42 156.83 63.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 111.403 175.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 12.5 mptt -99.34 150.75 37.03 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-O 121.143 0.497 . . . . 0.0 111.599 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -90.47 113.15 1.92 Allowed 'Cis proline' 0 N--CA 1.454 -0.826 0 C-N-CA 121.94 -2.108 . . . . 0.0 112.982 -2.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 53.4 m-85 -156.11 153.81 29.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.781 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.61 145.83 39.69 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.166 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.75 88.33 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.304 0.573 . . . . 0.0 109.902 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.646 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 22.5 t80 -80.65 90.68 5.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.128 -175.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.75 -108.3 0.32 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.022 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 p -140.34 157.15 46.0 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.866 0.841 . . . . 0.0 111.503 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.37 -157.2 0.61 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.036 -1.438 . . . . 0.0 107.97 174.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.2 m -32.09 105.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.737 0.648 . . . . 0.0 111.568 171.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.529 ' CE3' ' HG2' ' A' ' 3' ' ' ARG . 44.1 m95 56.05 175.86 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.757 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -78.02 25.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.564 0.697 . . . . 0.0 110.397 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.513 ' H ' ' C ' ' A' ' 33' ' ' TRP . 22.3 mm-40 -102.46 -41.03 6.43 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.255 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -105.94 142.52 35.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.105 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -100.51 144.89 28.97 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.646 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.9 t -86.51 135.09 33.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -119.51 109.84 16.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.951 0.405 . . . . 0.0 110.12 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.054 -179.664 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.528 HD12 ' H1 ' ' A' ' 1' ' ' LEU . 7.6 mp . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' HB2' ' H ' ' A' ' 3' ' ' ARG . 5.0 Cg_exo -33.0 -83.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 125.217 3.945 . . . . 0.0 115.358 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.439 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 14.0 ptm180 -161.31 -52.75 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.7 m-20 -110.25 -3.03 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -57.41 -49.62 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.087 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.442 ' HA ' HG12 ' A' ' 9' ' ' VAL . 13.7 m -63.87 -27.01 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.748 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 66.2 ttt180 -65.96 -50.67 63.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.915 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 m -74.64 -37.43 62.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.122 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 6' ' ' SER . 14.5 p -73.27 -15.32 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.333 0.587 . . . . 0.0 110.089 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.34 -17.62 68.58 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 171.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -89.5 -117.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -154.29 107.97 2.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.44 -138.02 5.42 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.66 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -166.75 172.48 10.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.223 0.535 . . . . 0.0 111.795 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -112.01 133.39 54.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.556 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.446 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 29.1 pt -126.26 156.32 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 110.833 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.567 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 83.63 6.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.878 170.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 t 178.3 153.13 0.32 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -99.84 5.06 45.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.728 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.8 t -123.06 108.05 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.081 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.9 m -79.02 135.85 58.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.459 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.3 Cg_endo -64.07 146.17 90.51 Favored 'Trans proline' 0 CA--C 1.518 -0.307 0 C-N-CA 122.784 2.323 . . . . 0.0 111.237 174.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -90.38 150.95 43.85 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-O 121.118 0.485 . . . . 0.0 111.383 -176.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -90.8 113.13 1.86 Allowed 'Cis proline' 0 N--CA 1.453 -0.906 0 C-N-CA 121.881 -2.133 . . . . 0.0 112.775 -1.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 51.7 m-85 -155.72 157.98 37.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.077 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.51 147.72 43.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.85 89.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.609 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 13.1 t80 -84.0 90.35 7.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.767 -178.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.47 -120.98 15.28 Favored Glycine 0 C--N 1.332 0.342 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.148 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 p -140.97 138.44 33.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.481 0.658 . . . . 0.0 111.435 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.6 m -92.55 -160.99 0.79 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.231 173.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.446 ' H ' ' HB3' ' A' ' 31' ' ' CYS . 5.9 m -21.89 107.09 0.02 OUTLIER 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.602 1.189 . . . . 0.0 113.2 -176.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.7 m95 61.3 -120.7 0.79 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.872 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -130.94 25.78 4.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.653 0.74 . . . . 0.0 109.621 172.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -98.92 -38.99 8.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.93 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -107.68 145.08 33.87 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.686 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.3 m -101.18 144.77 29.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.9 m -85.65 127.95 34.63 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.448 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -111.88 107.98 17.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.252 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.29 179.39 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.473 HD12 ' H2 ' ' A' ' 1' ' ' LEU . 6.2 mp . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 30.8 Cg_exo -35.9 -81.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.527 3.484 . . . . 0.0 115.146 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 33' ' ' TRP . 14.7 ptm180 -161.05 -47.5 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.6 m-20 -119.84 -2.49 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.714 0.292 . . . . 0.0 111.374 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -56.04 -55.72 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.876 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -64.82 -26.15 68.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.03 -42.09 76.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.094 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 t -75.85 -20.77 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.223 0.535 . . . . 0.0 109.687 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.59 -33.86 63.27 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 171.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -86.23 -117.75 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 169.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.459 ' O ' HG11 ' A' ' 40' ' ' VAL . 65.3 m-70 -157.23 106.49 2.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.7 -143.56 7.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.639 -1.267 . . . . 0.0 112.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -164.13 175.97 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.109 0.481 . . . . 0.0 111.445 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.21 134.87 49.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.437 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 10.0 pt -130.27 151.26 35.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.771 176.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.573 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.02 84.38 6.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 169.508 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t 176.62 152.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -96.41 11.6 34.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.116 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -122.76 103.23 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m -82.92 141.45 43.88 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 43.8 Cg_endo -73.9 153.86 47.85 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.74 2.294 . . . . 0.0 110.943 175.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -95.41 148.47 34.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-O 121.176 0.513 . . . . 0.0 111.503 -176.5 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.07 113.67 1.73 Allowed 'Cis proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.097 -2.043 . . . . 0.0 113.07 -2.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.507 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 35.1 m-85 -154.29 157.68 39.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.139 174.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 139.55 49.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.45 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 89.8 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 110.151 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 23.2 t80 -83.45 88.94 6.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.129 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.61 -103.53 0.05 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.845 0.716 . . . . 0.0 113.4 174.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -137.76 157.98 45.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.595 0.712 . . . . 0.0 111.288 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.18 -157.98 0.66 Allowed 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.473 -1.24 . . . . 0.0 107.81 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.0 m -31.5 104.78 0.03 OUTLIER 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.711 0.632 . . . . 0.0 111.684 172.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.514 ' C ' ' H ' ' A' ' 35' ' ' GLN . 33.5 m95 57.1 169.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.085 -178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -76.57 25.34 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.286 0.565 . . . . 0.0 110.905 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' H ' ' C ' ' A' ' 33' ' ' TRP . 15.6 mm-40 -104.03 -31.5 9.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.925 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -115.13 144.9 42.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.855 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.4 m -100.79 147.08 26.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.598 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 7.4 t -87.21 140.67 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.6 m -120.9 108.99 14.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.27 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.459 HG11 ' O ' ' A' ' 12' ' ' HIS . 4.9 m . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.443 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.499 ' CG ' ' HB3' ' A' ' 32' ' ' SER . 31.2 Cg_exo -26.53 -81.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 1 C-N-CA 125.38 4.054 . . . . 0.0 115.072 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.432 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.3 ptm180 -161.92 -51.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.6 0.238 . . . . 0.0 111.538 -174.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.407 ' O ' HG11 ' A' ' 9' ' ' VAL . 3.3 m -53.98 -54.49 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.91 0.386 . . . . 0.0 111.101 176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.46 ' HA ' HG11 ' A' ' 9' ' ' VAL . 6.9 m -61.83 -30.95 71.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.588 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -64.77 -50.43 66.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.178 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.3 t -63.92 -41.3 97.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.759 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 6' ' ' SER . 12.6 p -79.46 -7.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.501 0.667 . . . . 0.0 110.285 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -20.39 75.54 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -95.24 -125.74 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -155.85 106.15 2.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.22 -134.11 3.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.983 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -164.21 173.8 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 111.45 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.5 m -117.35 123.72 47.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.069 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.2 pt -113.78 148.8 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.206 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.08 81.13 6.85 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.662 0.744 . . . . 0.0 109.845 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 m 178.92 178.0 0.47 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.3 -1.318 . . . . 0.0 107.532 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -127.17 28.91 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.432 0.635 . . . . 0.0 110.2 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.27 101.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.713 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.7 m -87.87 126.83 60.08 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -70.8 148.92 59.4 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.705 2.27 . . . . 0.0 111.592 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -77.7 150.68 79.18 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 121.289 0.566 . . . . 0.0 111.952 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -91.92 111.6 1.27 Allowed 'Cis proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.609 -2.246 . . . . 0.0 112.058 -6.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -157.31 158.95 36.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.71 145.72 41.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.539 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 88.92 1.35 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.197 0.523 . . . . 0.0 110.001 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.596 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 25.4 t80 -85.11 90.22 7.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.153 -176.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.79 -115.43 1.93 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.235 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.7 p -137.98 151.25 47.75 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.655 0.741 . . . . 0.0 111.483 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HB3' ' H ' ' A' ' 32' ' ' SER . 1.3 m -104.85 -157.6 0.62 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.105 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.499 ' HB3' ' CG ' ' A' ' 2' ' ' PRO . 1.8 m -29.75 104.25 0.03 OUTLIER 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.679 0.612 . . . . 0.0 112.109 171.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.52 ' C ' ' H ' ' A' ' 35' ' ' GLN . 28.7 m95 55.96 169.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.58 -176.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -73.02 14.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.685 -0.635 . . . . 0.0 111.335 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.52 ' H ' ' C ' ' A' ' 33' ' ' TRP . 23.9 mm-40 -93.38 -47.01 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.025 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -94.23 139.13 31.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.791 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.8 m -101.82 145.63 28.91 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.596 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 29.4 t -84.28 134.73 34.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.686 0.279 . . . . 0.0 110.262 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -116.84 108.95 16.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.42 HG12 ' SG ' ' A' ' 38' ' ' CYS . 7.9 m . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.704 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.422 ' CB ' ' HA ' ' A' ' 32' ' ' SER . 36.4 Cg_exo -42.17 -79.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.877 3.051 . . . . 0.0 113.667 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 14.8 ptm180 -160.49 -49.1 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.1 m-20 -126.14 -2.68 7.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -172.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.44 ' O ' HG21 ' A' ' 9' ' ' VAL . 1.8 m -47.26 -63.16 1.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -63.77 -25.5 68.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 -175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 34.7 ttm180 -63.23 -50.06 71.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 38' ' ' CYS . 38.4 m -73.43 -41.61 63.04 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 5' ' ' THR . 13.2 t -71.53 -20.45 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.305 0.574 . . . . 0.0 109.962 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.54 -26.08 66.08 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.827 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -79.26 -106.88 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.431 ' O ' HG11 ' A' ' 40' ' ' VAL . 83.9 m-70 -153.84 105.74 2.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.06 -143.12 9.58 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.609 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.55 ' CE1' HG23 ' A' ' 16' ' ' ILE . 5.9 p90 -161.67 179.89 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.563 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.4 136.31 49.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.83 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.55 HG23 ' CE1' ' A' ' 14' ' ' TYR . 5.2 pt -131.56 149.98 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.529 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.98 86.02 6.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.076 0.465 . . . . 0.0 109.795 170.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 t 177.88 149.35 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.241 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -91.99 -2.09 56.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.17 0.51 . . . . 0.0 110.5 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.2 t -114.53 108.8 26.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.957 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 m -81.15 129.59 66.38 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.159 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.503 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 22.1 Cg_endo -63.79 148.08 92.11 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.038 2.492 . . . . 0.0 111.864 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -83.18 147.77 54.56 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-O 120.969 0.414 . . . . 0.0 111.263 -179.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -92.38 114.36 1.85 Allowed 'Cis proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.45 -6.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 28.3 m-85 -156.45 159.71 38.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.087 177.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.82 138.36 51.56 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.523 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.59 101.74 3.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.314 0.578 . . . . 0.0 110.017 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.611 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 8.5 t80 -97.12 96.06 8.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.832 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.67 -119.38 5.71 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.446 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.0 p -140.95 138.65 33.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 111.151 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.2 m -89.56 -158.03 0.49 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.937 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 2' ' ' PRO . 2.2 m -34.23 103.53 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 123.732 0.645 . . . . 0.0 111.265 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.495 ' C ' ' H ' ' A' ' 35' ' ' GLN . 21.7 m95 55.78 172.87 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.525 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -78.72 26.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.48 -0.762 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' A' ' 33' ' ' TRP . 17.3 mm-40 -101.66 -29.27 12.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.716 -178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -118.73 138.29 52.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.508 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 m -100.5 146.16 27.4 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.2 m -85.38 134.73 34.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.2 m -118.35 110.32 17.35 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.79 0.328 . . . . 0.0 110.249 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 HG11 ' O ' ' A' ' 12' ' ' HIS . 4.1 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.488 ' HG ' ' OG ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.47 ' HB2' ' H ' ' A' ' 3' ' ' ARG . 46.6 Cg_exo -39.43 -78.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.943 3.096 . . . . 0.0 114.02 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.2 ptm180 -161.66 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.258 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.442 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.2 m-20 -120.41 -2.68 10.0 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -48.53 -56.95 6.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.502 ' HA ' HG13 ' A' ' 9' ' ' VAL . 42.6 m -68.44 -24.0 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 111.335 -174.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -70.12 -41.78 73.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.998 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.41 -43.21 67.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.731 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 6' ' ' SER . 13.1 p -79.46 -9.25 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.09 -21.98 70.3 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 170.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.53 -116.92 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -158.0 106.85 2.04 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.12 -139.43 5.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.265 -0.969 . . . . 0.0 112.2 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -166.59 174.99 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 0.0 111.636 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.1 m -104.5 137.08 42.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.814 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.2 pt -129.92 149.1 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.23 85.03 6.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.855 0.836 . . . . 0.0 110.302 170.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 t 179.15 162.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.323 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -106.13 9.42 32.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.894 0.378 . . . . 0.0 110.694 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.05 105.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.876 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.5 m -82.2 130.2 60.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.485 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 29.3 Cg_endo -67.19 150.73 81.9 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.818 2.345 . . . . 0.0 111.679 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -85.55 151.51 55.96 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 121.388 0.613 . . . . 0.0 112.034 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -91.11 112.47 1.62 Allowed 'Cis proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.747 -2.189 . . . . 0.0 112.08 -4.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 54.7 m-85 -156.01 155.52 32.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.676 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.35 145.4 41.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.98 89.71 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.266 0.555 . . . . 0.0 110.005 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.682 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.9 t80 -85.17 89.47 7.64 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.995 -177.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.93 -109.24 0.44 Allowed Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.236 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p -139.08 156.16 47.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.279 0.561 . . . . 0.0 110.99 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.62 -158.37 0.65 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 174.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.3 m -34.28 104.43 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 123.529 0.518 . . . . 0.0 111.429 172.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.538 ' C ' ' H ' ' A' ' 35' ' ' GLN . 31.5 m95 57.79 167.85 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.566 -177.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -76.95 26.19 0.14 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.528 -0.732 . . . . 0.0 110.639 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.538 ' H ' ' C ' ' A' ' 33' ' ' TRP . 19.4 mm-40 -103.19 -28.06 12.14 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.344 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.74 138.5 52.62 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.348 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.6 m -99.26 145.16 27.57 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.682 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 13.8 t -82.38 132.69 35.21 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.058 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.0 m -118.56 112.18 19.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.971 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.83 -179.106 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.422 HD11 ' H3 ' ' A' ' 1' ' ' LEU . 5.2 mp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.463 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 69.7 Cg_exo -35.22 -81.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.273 3.315 . . . . 0.0 114.181 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.444 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.5 ptm180 -162.78 -51.98 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.717 0.294 . . . . 0.0 111.442 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 -10.1 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -46.99 -51.62 16.69 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -59.48 -39.37 83.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.019 0.438 . . . . 0.0 111.026 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -63.01 -42.99 99.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.32 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.1 t -68.6 -42.57 78.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.4 p -78.72 -16.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.897 0.38 . . . . 0.0 110.981 -174.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.45 -21.57 66.79 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -90.2 -116.9 0.07 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.516 ' O ' HG11 ' A' ' 40' ' ' VAL . 67.9 m-70 -160.34 106.52 1.53 Allowed 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.22 -138.79 5.27 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 119.94 -1.124 . . . . 0.0 112.034 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -170.25 171.44 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.179 0.514 . . . . 0.0 111.4 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.52 131.03 55.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.765 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -124.86 153.92 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.033 0.444 . . . . 0.0 110.629 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -86.13 83.3 7.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.628 0.728 . . . . 0.0 110.162 171.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 t 177.7 171.97 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -120.34 10.06 11.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 174.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.82 105.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.551 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.22 131.03 52.01 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.046 0.45 . . . . 0.0 111.922 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.525 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.4 Cg_endo -63.17 154.57 66.8 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.131 2.554 . . . . 0.0 111.428 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 3.4 mptp? -96.05 150.42 37.23 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 121.166 0.507 . . . . 0.0 111.663 -175.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -90.97 113.81 2.04 Favored 'Cis proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.053 -2.061 . . . . 0.0 112.604 -4.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.525 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 50.2 m-85 -157.41 151.52 24.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.59 144.74 34.18 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.19 88.87 1.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.518 . . . . 0.0 109.77 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.586 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.5 t80 -81.71 94.22 6.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.187 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.04 -106.86 0.2 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.995 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 p -144.09 157.08 44.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.555 0.693 . . . . 0.0 110.998 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.24 -158.13 0.64 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.668 175.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.463 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.2 m -31.97 105.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.859 0.724 . . . . 0.0 111.516 170.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.541 ' C ' ' H ' ' A' ' 35' ' ' GLN . 32.6 m95 56.57 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.657 -175.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.09 25.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.513 0.673 . . . . 0.0 110.698 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.541 ' H ' ' C ' ' A' ' 33' ' ' TRP . 16.9 mm-40 -103.82 -41.71 5.82 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.083 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -103.57 139.73 38.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 m -100.49 147.07 26.3 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 20.1 t -84.13 135.6 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.509 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -117.98 109.12 16.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.259 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 12' ' ' HIS . 5.4 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 44.1 Cg_exo -41.58 -78.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.102 3.202 . . . . 0.0 114.526 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 11.9 ttt180 -161.3 -77.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.468 -175.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.408 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 1.1 m-20 -85.53 -3.14 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.066 -178.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -57.88 -50.36 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.163 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -61.3 -32.23 72.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 110.358 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -67.01 -49.44 65.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.372 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.61 -41.97 98.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.958 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.84 -12.4 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.331 0.586 . . . . 0.0 110.283 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -22.77 69.52 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 170.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.01 -120.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -157.47 106.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.9 -138.22 5.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.519 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -163.94 169.65 17.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.8 m -108.96 132.92 53.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.868 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 pt -124.36 151.09 29.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.413 . . . . 0.0 110.509 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.575 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.86 83.15 6.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.245 0.545 . . . . 0.0 109.758 170.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -176.71 152.23 0.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.61 -9.5 34.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.348 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.75 119.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.025 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 m -88.15 137.81 30.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.86 0.362 . . . . 0.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 34.7 Cg_endo -69.04 157.31 62.28 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.896 2.398 . . . . 0.0 111.645 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.5 148.86 45.27 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -96.01 110.62 0.7 Allowed 'Cis proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.155 -1.602 . . . . 0.0 111.107 -3.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 64.9 m-85 -156.79 157.14 34.47 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.884 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.42 142.0 46.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.135 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 89.56 0.69 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.65 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -82.32 92.63 7.0 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.823 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.35 -105.68 0.11 Allowed Glycine 0 N--CA 1.448 -0.528 0 O-C-N 123.788 0.68 . . . . 0.0 113.27 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 p -146.06 155.05 42.52 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.98 0.895 . . . . 0.0 111.583 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 1.7 m -110.72 -160.64 0.72 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.839 170.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.7 m -20.78 108.06 0.02 OUTLIER 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.689 1.243 . . . . 0.0 113.378 -176.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 39.5 m95 61.85 -116.31 0.6 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.615 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.91 25.43 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 108.958 168.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -92.83 -43.81 8.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.761 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.43 150.86 25.64 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.0 m -101.44 144.37 30.31 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.65 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 35.8 t -86.7 132.82 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.3 m -118.92 109.99 16.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.251 1.143 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.19 179.341 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.478 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 24.7 Cg_exo -26.83 -82.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 1 C-N-CA 125.374 4.049 . . . . 0.0 115.682 -177.404 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.436 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 10.5 ptm180 -161.44 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -119.79 -7.76 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -52.64 -57.78 8.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -59.73 -36.44 76.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.723 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -61.81 -50.47 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.563 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.7 t -65.61 -42.74 91.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.125 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 p -76.91 -12.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 0.0 110.661 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.36 71.56 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 171.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -89.73 -120.61 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -155.73 105.98 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.62 -139.61 6.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -167.58 173.35 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 111.919 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.8 m -100.56 137.53 38.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.957 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.7 pt -130.57 148.73 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.507 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.585 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.32 85.41 6.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.674 0.749 . . . . 0.0 109.801 171.676 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.0 m -172.33 167.92 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.227 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 8.6 mmpt? -105.68 -7.72 18.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.206 0.527 . . . . 0.0 109.883 176.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -119.96 120.58 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.038 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -85.73 139.45 35.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.678 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 36.7 Cg_endo -70.08 148.45 63.05 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.704 2.27 . . . . 0.0 111.695 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -84.36 149.55 55.34 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -91.87 113.23 1.66 Allowed 'Cis proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.024 -2.073 . . . . 0.0 112.221 -5.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 46.4 m-85 -156.94 156.1 32.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.544 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.82 147.35 35.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.436 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.77 90.9 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.932 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.698 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -87.8 89.55 8.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.891 -177.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.38 -103.35 0.07 OUTLIER Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 113.332 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 p -144.15 159.93 41.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -176.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.53 -158.09 0.69 Allowed 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.1 m -32.02 104.51 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.565 0.541 . . . . 0.0 111.791 173.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.479 ' C ' ' H ' ' A' ' 35' ' ' GLN . 35.3 m95 56.19 172.66 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.039 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -78.36 26.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.792 -0.567 . . . . 0.0 110.941 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 33' ' ' TRP . 65.9 mm-40 -104.43 -33.58 8.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.024 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -112.39 139.89 47.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.445 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.5 m -99.96 141.97 32.06 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.698 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 12.2 t -79.74 131.34 35.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.4 m -117.92 111.29 18.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.099 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.683 -178.377 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.498 HD12 ' H2 ' ' A' ' 1' ' ' LEU . 6.2 mp . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.411 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 51.5 Cg_exo -39.62 -75.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.077 3.185 . . . . 0.0 114.601 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.463 ' HD3' ' OD1' ' A' ' 4' ' ' ASP . 17.3 ttt-85 -160.91 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.54 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' OD1' ' HD3' ' A' ' 3' ' ' ARG . 27.3 m-20 -88.73 -6.1 57.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.153 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -49.29 -48.29 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.959 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -61.8 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.98 -45.67 90.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.318 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.07 -42.26 89.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.907 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -80.1 -10.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.264 0.554 . . . . 0.0 110.619 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.73 -17.75 71.5 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.0 -117.23 0.15 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.461 ' O ' HG12 ' A' ' 40' ' ' VAL . 79.7 m-70 -158.72 106.77 1.89 Allowed 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.87 -145.41 10.23 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.832 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.4 ' CE1' HG22 ' A' ' 16' ' ' ILE . 14.8 p90 -163.02 175.02 11.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 111.8 -175.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -107.75 121.02 43.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.955 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.4 HG22 ' CE1' ' A' ' 14' ' ' TYR . 10.6 pt -112.66 147.2 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 0.0 110.626 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.626 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -85.61 84.5 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.919 0.866 . . . . 0.0 109.358 172.011 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t 177.83 165.97 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.091 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -109.52 7.92 24.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.255 0.55 . . . . 0.0 109.822 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.84 115.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.057 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.4 m -88.41 135.97 32.13 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 111.902 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 38.0 Cg_endo -73.26 148.99 44.73 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.701 2.267 . . . . 0.0 111.563 173.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -83.07 150.86 62.32 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.155 0.502 . . . . 0.0 111.909 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.79 112.56 1.51 Allowed 'Cis proline' 0 N--CA 1.452 -0.97 0 C-N-CA 121.878 -2.134 . . . . 0.0 112.161 -3.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 45.8 m-85 -157.41 158.47 35.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.235 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.66 40.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.032 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.09 89.36 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.265 0.555 . . . . 0.0 110.18 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.664 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 18.0 t80 -84.81 93.88 8.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.242 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -108.26 0.39 Allowed Glycine 0 C--N 1.334 0.421 0 CA-C-N 116.097 -0.502 . . . . 0.0 113.072 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -142.55 159.51 42.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.324 0.583 . . . . 0.0 110.166 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.33 -158.75 0.66 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 173.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.411 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.8 m -33.03 104.77 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 123.491 0.494 . . . . 0.0 111.904 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.505 ' C ' ' H ' ' A' ' 35' ' ' GLN . 43.8 m95 58.57 167.94 0.05 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.792 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.33 26.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.332 0.587 . . . . 0.0 111.113 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 33' ' ' TRP . 63.8 mm-40 -104.36 -40.31 6.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.875 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 3.4 mmmm -103.7 138.44 40.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.376 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.4 m -97.56 144.25 27.44 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.664 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.8 t -81.21 131.0 35.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.49 110.57 19.47 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.142 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 12' ' ' HIS . 5.7 m . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.311 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.457 ' HB2' ' H ' ' A' ' 3' ' ' ARG . 13.4 Cg_exo -28.87 -81.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 1 C-N-CA 125.422 4.081 . . . . 0.0 115.523 179.317 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.529 ' HG2' ' CE3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -161.65 -53.99 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -176.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -107.28 -6.32 17.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.586 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -53.22 -48.54 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.435 ' HA ' HG11 ' A' ' 9' ' ' VAL . 15.6 m -62.2 -31.71 72.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 0.0 111.052 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.92 -46.84 73.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.963 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -62.99 -41.96 99.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.608 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 6' ' ' SER . 14.2 p -81.46 -9.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.35 0.595 . . . . 0.0 110.325 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.71 72.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 169.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -91.02 -121.89 0.07 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -158.42 107.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.33 -133.93 2.97 Favored Glycine 0 CA--C 1.505 -0.537 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.267 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -168.22 171.69 9.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.231 0.538 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.1 m -107.56 133.2 52.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.877 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.3 pt -123.85 146.89 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.173 0.511 . . . . 0.0 110.893 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -88.2 86.76 7.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.446 0.641 . . . . 0.0 109.688 167.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.6 t -178.89 173.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -112.2 -5.39 14.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -119.36 120.37 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -93.58 133.72 27.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.105 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 30.2 Cg_endo -66.42 156.83 63.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 111.403 175.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 12.5 mptt -99.34 150.75 37.03 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-O 121.143 0.497 . . . . 0.0 111.599 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -90.47 113.15 1.92 Allowed 'Cis proline' 0 N--CA 1.454 -0.826 0 C-N-CA 121.94 -2.108 . . . . 0.0 112.982 -2.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 53.4 m-85 -156.11 153.81 29.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.781 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.61 145.83 39.69 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.166 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.75 88.33 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.304 0.573 . . . . 0.0 109.902 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.646 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 22.5 t80 -80.65 90.68 5.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.128 -175.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.75 -108.3 0.32 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.022 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 p -140.34 157.15 46.0 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.866 0.841 . . . . 0.0 111.503 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.37 -157.2 0.61 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.036 -1.438 . . . . 0.0 107.97 174.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.2 m -32.09 105.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.737 0.648 . . . . 0.0 111.568 171.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.529 ' CE3' ' HG2' ' A' ' 3' ' ' ARG . 44.1 m95 56.05 175.86 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.757 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -78.02 25.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.564 0.697 . . . . 0.0 110.397 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.513 ' H ' ' C ' ' A' ' 33' ' ' TRP . 22.3 mm-40 -102.46 -41.03 6.43 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.255 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -105.94 142.52 35.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.105 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -100.51 144.89 28.97 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.646 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.9 t -86.51 135.09 33.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -119.51 109.84 16.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.951 0.405 . . . . 0.0 110.12 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.054 -179.664 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.442 ' HG2' ' CB ' ' A' ' 32' ' ' SER . 5.0 Cg_exo . . . . . 0 CA--C 1.534 0.501 0 N-CA-C 115.358 1.253 . . . . 0.0 115.358 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 14.0 ptm180 -161.31 -52.75 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.7 m-20 -110.25 -3.03 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.3 m -57.41 -49.62 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.087 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.48 ' HA ' HG12 ' A' ' 9' ' ' VAL . 13.7 m -63.87 -27.01 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.748 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.481 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 66.2 ttt180 -65.96 -50.67 63.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.915 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 m -74.64 -37.43 62.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.122 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' A' ' 6' ' ' SER . 14.5 p -73.27 -15.32 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.333 0.587 . . . . 0.0 110.089 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.34 -17.62 68.58 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 171.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -89.5 -117.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -154.29 107.97 2.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.44 -138.02 5.42 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.66 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -166.75 172.48 10.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.223 0.535 . . . . 0.0 111.795 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -112.01 133.39 54.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.556 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.456 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 29.1 pt -126.26 156.32 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 110.833 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.558 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 83.63 6.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.878 170.357 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 t 178.3 153.13 0.32 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -99.84 5.06 45.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.728 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.8 t -123.06 108.05 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.081 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.9 m -79.02 135.85 58.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.459 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.456 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.3 Cg_endo -64.07 146.17 90.51 Favored 'Trans proline' 0 CA--C 1.518 -0.307 0 C-N-CA 122.784 2.323 . . . . 0.0 111.237 174.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -90.38 150.95 43.85 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-O 121.118 0.485 . . . . 0.0 111.383 -176.762 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -90.8 113.13 1.86 Allowed 'Cis proline' 0 N--CA 1.453 -0.906 0 C-N-CA 121.881 -2.133 . . . . 0.0 112.775 -1.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 51.7 m-85 -155.72 157.98 37.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.077 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.51 147.72 43.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.85 89.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.598 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 13.1 t80 -84.0 90.35 7.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.767 -178.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.47 -120.98 15.28 Favored Glycine 0 C--N 1.332 0.342 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.148 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 p -140.97 138.44 33.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.481 0.658 . . . . 0.0 111.435 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.6 m -92.55 -160.99 0.79 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.231 173.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.442 ' CB ' ' HG2' ' A' ' 2' ' ' PRO . 5.9 m -21.89 107.09 0.02 OUTLIER 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.602 1.189 . . . . 0.0 113.2 -176.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.7 m95 61.3 -120.7 0.79 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.872 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -130.94 25.78 4.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.653 0.74 . . . . 0.0 109.621 172.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -98.92 -38.99 8.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.93 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -107.68 145.08 33.87 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.686 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.3 m -101.18 144.77 29.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.9 m -85.65 127.95 34.63 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.448 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -111.88 107.98 17.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.252 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.29 179.39 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 30.8 Cg_exo . . . . . 0 CA--C 1.534 0.497 0 N-CA-C 115.146 1.172 . . . . 0.0 115.146 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HD3' ' HA ' ' A' ' 33' ' ' TRP . 14.7 ptm180 -161.05 -47.5 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.6 m-20 -119.84 -2.49 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.714 0.292 . . . . 0.0 111.374 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -56.04 -55.72 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.876 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -64.82 -26.15 68.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.03 -42.09 76.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.094 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 t -75.85 -20.77 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.223 0.535 . . . . 0.0 109.687 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.59 -33.86 63.27 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 171.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -86.23 -117.75 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 169.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.492 ' O ' HG12 ' A' ' 40' ' ' VAL . 65.3 m-70 -157.23 106.49 2.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.7 -143.56 7.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.639 -1.267 . . . . 0.0 112.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -164.13 175.97 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.109 0.481 . . . . 0.0 111.445 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.21 134.87 49.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.437 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 10.0 pt -130.27 151.26 35.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.771 176.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.635 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.02 84.38 6.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 169.508 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t 176.62 152.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -96.41 11.6 34.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.116 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -122.76 103.23 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m -82.92 141.45 43.88 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.518 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 43.8 Cg_endo -73.9 153.86 47.85 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.74 2.294 . . . . 0.0 110.943 175.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -95.41 148.47 34.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-O 121.176 0.513 . . . . 0.0 111.503 -176.5 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.07 113.67 1.73 Allowed 'Cis proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.097 -2.043 . . . . 0.0 113.07 -2.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 35.1 m-85 -154.29 157.68 39.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.139 174.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 139.55 49.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.45 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 89.8 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 110.151 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 23.2 t80 -83.45 88.94 6.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.129 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.61 -103.53 0.05 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.845 0.716 . . . . 0.0 113.4 174.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -137.76 157.98 45.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.595 0.712 . . . . 0.0 111.288 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.18 -157.98 0.66 Allowed 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.473 -1.24 . . . . 0.0 107.81 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.493 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.0 m -31.5 104.78 0.03 OUTLIER 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.711 0.632 . . . . 0.0 111.684 172.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.503 ' HA ' ' HD3' ' A' ' 3' ' ' ARG . 33.5 m95 57.1 169.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.085 -178.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -76.57 25.34 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.286 0.565 . . . . 0.0 110.905 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.478 ' H ' ' C ' ' A' ' 33' ' ' TRP . 8.8 mm100 -104.03 -31.5 9.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.925 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -115.13 144.9 42.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.855 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.4 m -100.79 147.08 26.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 7.4 t -87.21 140.67 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.6 m -120.9 108.99 14.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.27 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 12' ' ' HIS . 4.9 m . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.443 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.486 ' CG ' ' HB3' ' A' ' 32' ' ' SER . 31.2 Cg_exo . . . . . 0 CA--C 1.531 0.353 0 N-CA-C 115.072 1.143 . . . . 0.0 115.072 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.433 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.3 ptm180 -161.92 -51.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.6 0.238 . . . . 0.0 111.538 -174.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -53.98 -54.49 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.91 0.386 . . . . 0.0 111.101 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.479 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.9 m -61.83 -30.95 71.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.588 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -64.77 -50.43 66.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.178 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.3 t -63.92 -41.3 97.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.759 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.6 p -79.46 -7.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.501 0.667 . . . . 0.0 110.285 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -20.39 75.54 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -95.24 -125.74 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' HG12 ' A' ' 40' ' ' VAL . 78.2 m-70 -155.85 106.15 2.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.22 -134.11 3.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.983 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -164.21 173.8 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 111.45 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.5 m -117.35 123.72 47.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.069 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.2 pt -113.78 148.8 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.206 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.08 81.13 6.85 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.662 0.744 . . . . 0.0 109.845 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 m 178.92 178.0 0.47 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.3 -1.318 . . . . 0.0 107.532 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -127.17 28.91 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.432 0.635 . . . . 0.0 110.2 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.27 101.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.713 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.7 m -87.87 126.83 60.08 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -70.8 148.92 59.4 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.705 2.27 . . . . 0.0 111.592 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -77.7 150.68 79.18 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 121.289 0.566 . . . . 0.0 111.952 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -91.92 111.6 1.27 Allowed 'Cis proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.609 -2.246 . . . . 0.0 112.058 -6.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -157.31 158.95 36.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.71 145.72 41.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.539 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 88.92 1.35 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.197 0.523 . . . . 0.0 110.001 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 25.4 t80 -85.11 90.22 7.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.153 -176.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.79 -115.43 1.93 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.235 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.7 p -137.98 151.25 47.75 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.655 0.741 . . . . 0.0 111.483 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 1.3 m -104.85 -157.6 0.62 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.105 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.486 ' HB3' ' CG ' ' A' ' 2' ' ' PRO . 1.8 m -29.75 104.25 0.03 OUTLIER 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.679 0.612 . . . . 0.0 112.109 171.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.472 ' C ' ' H ' ' A' ' 35' ' ' GLN . 28.7 m95 55.96 169.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.58 -176.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -73.02 14.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.685 -0.635 . . . . 0.0 111.335 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 33' ' ' TRP . 10.8 mm100 -93.38 -47.01 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.025 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -94.23 139.13 31.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.791 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.8 m -101.82 145.63 28.91 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 29.4 t -84.28 134.73 34.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.686 0.279 . . . . 0.0 110.262 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -116.84 108.95 16.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 12' ' ' HIS . 7.9 m . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.704 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.456 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 36.4 Cg_exo . . . . . 0 CA--C 1.532 0.386 0 N-CA-C 113.667 0.603 . . . . 0.0 113.667 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.525 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 14.8 ptm180 -160.49 -49.1 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.1 m-20 -126.14 -2.68 7.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -172.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.8 m -47.26 -63.16 1.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -63.77 -25.5 68.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 -175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 34.7 ttm180 -63.23 -50.06 71.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 38' ' ' CYS . 38.4 m -73.43 -41.61 63.04 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 5' ' ' THR . 13.2 t -71.53 -20.45 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.305 0.574 . . . . 0.0 109.962 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.54 -26.08 66.08 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.827 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -79.26 -106.88 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' HG12 ' A' ' 40' ' ' VAL . 83.9 m-70 -153.84 105.74 2.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.06 -143.12 9.58 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.609 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 16' ' ' ILE . 5.9 p90 -161.67 179.89 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.563 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.4 136.31 49.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.83 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.565 HG22 ' CE1' ' A' ' 14' ' ' TYR . 5.2 pt -131.56 149.98 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.598 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.98 86.02 6.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.076 0.465 . . . . 0.0 109.795 170.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 t 177.88 149.35 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.241 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -91.99 -2.09 56.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.17 0.51 . . . . 0.0 110.5 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.2 t -114.53 108.8 26.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.957 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 m -81.15 129.59 66.38 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.159 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 22.1 Cg_endo -63.79 148.08 92.11 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.038 2.492 . . . . 0.0 111.864 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -83.18 147.77 54.56 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-O 120.969 0.414 . . . . 0.0 111.263 -179.456 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -92.38 114.36 1.85 Allowed 'Cis proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.45 -6.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 28.3 m-85 -156.45 159.71 38.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.087 177.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.82 138.36 51.56 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.523 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.59 101.74 3.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.314 0.578 . . . . 0.0 110.017 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 8.5 t80 -97.12 96.06 8.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.832 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.67 -119.38 5.71 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.446 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.0 p -140.95 138.65 33.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 111.151 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.2 m -89.56 -158.03 0.49 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.937 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.456 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 2.2 m -34.23 103.53 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 123.732 0.645 . . . . 0.0 111.265 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.525 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 21.7 m95 55.78 172.87 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.525 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -78.72 26.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.48 -0.762 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 33' ' ' TRP . 17.3 mm-40 -101.66 -29.27 12.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.716 -178.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HE3' ' HG3' ' A' ' 17' ' ' ARG . 4.0 mmmm -118.73 138.29 52.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.508 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 m -100.5 146.16 27.4 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.2 m -85.38 134.73 34.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.2 m -118.35 110.32 17.35 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.79 0.328 . . . . 0.0 110.249 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 12' ' ' HIS . 4.1 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.522 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 46.6 Cg_exo . . . . . 0 CA--C 1.529 0.253 0 N-CA-C 114.02 0.738 . . . . 0.0 114.02 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.55 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 12.2 ptm180 -161.66 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.258 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.2 m-20 -120.41 -2.68 10.0 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -48.53 -56.95 6.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.528 ' HA ' HG12 ' A' ' 9' ' ' VAL . 42.6 m -68.44 -24.0 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 111.335 -174.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -70.12 -41.78 73.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.998 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.41 -43.21 67.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.731 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 6' ' ' SER . 13.1 p -79.46 -9.25 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.09 -21.98 70.3 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 170.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.53 -116.92 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.412 ' C ' HG12 ' A' ' 40' ' ' VAL . 84.0 m-70 -158.0 106.85 2.04 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.12 -139.43 5.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.265 -0.969 . . . . 0.0 112.2 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -166.59 174.99 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 0.0 111.636 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.1 m -104.5 137.08 42.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.814 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.2 pt -129.92 149.1 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.509 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.23 85.03 6.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.855 0.836 . . . . 0.0 110.302 170.612 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 t 179.15 162.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.323 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -106.13 9.42 32.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.894 0.378 . . . . 0.0 110.694 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.05 105.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.876 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.5 m -82.2 130.2 60.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.491 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 29.3 Cg_endo -67.19 150.73 81.9 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.818 2.345 . . . . 0.0 111.679 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -85.55 151.51 55.96 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 121.388 0.613 . . . . 0.0 112.034 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -91.11 112.47 1.62 Allowed 'Cis proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.747 -2.189 . . . . 0.0 112.08 -4.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.491 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 54.7 m-85 -156.01 155.52 32.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.676 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.35 145.4 41.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.98 89.71 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.266 0.555 . . . . 0.0 110.005 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.696 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.9 t80 -85.17 89.47 7.64 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.995 -177.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.93 -109.24 0.44 Allowed Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.236 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p -139.08 156.16 47.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.279 0.561 . . . . 0.0 110.99 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.62 -158.37 0.65 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 174.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.522 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.3 m -34.28 104.43 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 123.529 0.518 . . . . 0.0 111.429 172.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.55 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 31.5 m95 57.79 167.85 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.566 -177.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -76.95 26.19 0.14 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.528 -0.732 . . . . 0.0 110.639 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' A' ' 33' ' ' TRP . 9.6 mm100 -103.19 -28.06 12.14 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.344 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.74 138.5 52.62 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.348 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.6 m -99.26 145.16 27.57 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.696 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 13.8 t -82.38 132.69 35.21 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.058 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.0 m -118.56 112.18 19.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.971 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 12' ' ' HIS . 3.8 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.83 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.519 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 69.7 Cg_exo . . . . . 0 CA--C 1.53 0.309 0 N-CA-C 114.181 0.8 . . . . 0.0 114.181 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.463 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.5 ptm180 -162.78 -51.98 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.717 0.294 . . . . 0.0 111.442 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 -10.1 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -46.99 -51.62 16.69 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.424 ' HA ' HG12 ' A' ' 9' ' ' VAL . 18.3 m -59.48 -39.37 83.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.019 0.438 . . . . 0.0 111.026 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -63.01 -42.99 99.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.32 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.1 t -68.6 -42.57 78.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.4 p -78.72 -16.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.897 0.38 . . . . 0.0 110.981 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.45 -21.57 66.79 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -90.2 -116.9 0.07 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.9 m-70 -160.34 106.52 1.53 Allowed 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.22 -138.79 5.27 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 119.94 -1.124 . . . . 0.0 112.034 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -170.25 171.44 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.179 0.514 . . . . 0.0 111.4 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.52 131.03 55.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.765 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -124.86 153.92 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.033 0.444 . . . . 0.0 110.629 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.534 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -86.13 83.3 7.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.628 0.728 . . . . 0.0 110.162 171.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 t 177.7 171.97 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -120.34 10.06 11.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 174.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.82 105.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.551 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.22 131.03 52.01 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.046 0.45 . . . . 0.0 111.922 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.4 Cg_endo -63.17 154.57 66.8 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.131 2.554 . . . . 0.0 111.428 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 3.4 mptp? -96.05 150.42 37.23 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 121.166 0.507 . . . . 0.0 111.663 -175.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -90.97 113.81 2.04 Favored 'Cis proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.053 -2.061 . . . . 0.0 112.604 -4.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 50.2 m-85 -157.41 151.52 24.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.59 144.74 34.18 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.19 88.87 1.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.518 . . . . 0.0 109.77 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.5 t80 -81.71 94.22 6.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.187 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.04 -106.86 0.2 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.995 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 p -144.09 157.08 44.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.555 0.693 . . . . 0.0 110.998 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.24 -158.13 0.64 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.668 175.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.2 m -31.97 105.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.859 0.724 . . . . 0.0 111.516 170.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.507 ' C ' ' H ' ' A' ' 35' ' ' GLN . 32.6 m95 56.57 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.657 -175.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.09 25.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.513 0.673 . . . . 0.0 110.698 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' A' ' 33' ' ' TRP . 9.3 mm100 -103.82 -41.71 5.82 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.083 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -103.57 139.73 38.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 m -100.49 147.07 26.3 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 20.1 t -84.13 135.6 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.509 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -117.98 109.12 16.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.259 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 12' ' ' HIS . 5.4 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.46 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 44.1 Cg_exo . . . . . 0 CA--C 1.53 0.293 0 N-CA-C 114.526 0.933 . . . . 0.0 114.526 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 3' ' ' ARG . 11.9 ttt180 -161.3 -77.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.468 -175.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.404 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 1.1 m-20 -85.53 -3.14 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.066 -178.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -57.88 -50.36 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.163 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.4 m -61.3 -32.23 72.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 110.358 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -67.01 -49.44 65.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.372 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.61 -41.97 98.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.958 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.0 p -78.84 -12.4 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.331 0.586 . . . . 0.0 110.283 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -22.77 69.52 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 170.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.01 -120.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.439 ' O ' HG12 ' A' ' 40' ' ' VAL . 82.0 m-70 -157.47 106.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -177.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.9 -138.22 5.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.519 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -163.94 169.65 17.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.8 m -108.96 132.92 53.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.868 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 pt -124.36 151.09 29.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.413 . . . . 0.0 110.509 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.637 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.86 83.15 6.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.245 0.545 . . . . 0.0 109.758 170.274 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -176.71 152.23 0.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.61 -9.5 34.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.348 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.75 119.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.025 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 m -88.15 137.81 30.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.86 0.362 . . . . 0.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.516 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 34.7 Cg_endo -69.04 157.31 62.28 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.896 2.398 . . . . 0.0 111.645 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.5 148.86 45.27 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -96.01 110.62 0.7 Allowed 'Cis proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.155 -1.602 . . . . 0.0 111.107 -3.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 64.9 m-85 -156.79 157.14 34.47 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.884 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.42 142.0 46.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.135 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 89.56 0.69 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -82.32 92.63 7.0 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.823 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.35 -105.68 0.11 Allowed Glycine 0 N--CA 1.448 -0.528 0 O-C-N 123.788 0.68 . . . . 0.0 113.27 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 p -146.06 155.05 42.52 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.98 0.895 . . . . 0.0 111.583 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 1.7 m -110.72 -160.64 0.72 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.839 170.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.46 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.7 m -20.78 108.06 0.02 OUTLIER 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.689 1.243 . . . . 0.0 113.378 -176.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 39.5 m95 61.85 -116.31 0.6 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.615 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.91 25.43 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 108.958 168.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -92.83 -43.81 8.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.761 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.43 150.86 25.64 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.0 m -101.44 144.37 30.31 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.67 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 35.8 t -86.7 132.82 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.3 m -118.92 109.99 16.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 12' ' ' HIS . 6.0 m . . . . . 0 C--O 1.251 1.143 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.19 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.525 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 24.7 Cg_exo . . . . . 0 CA--C 1.533 0.435 0 N-CA-C 115.682 1.378 . . . . 0.0 115.682 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 10.5 ptm180 -161.44 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 2.1 m-20 -119.79 -7.76 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -52.64 -57.78 8.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 9' ' ' VAL . 16.8 m -59.73 -36.44 76.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.723 -178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -61.81 -50.47 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.563 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.7 t -65.61 -42.74 91.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.125 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 6' ' ' SER . 11.4 p -76.91 -12.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 0.0 110.661 -175.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.36 71.56 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 171.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -89.73 -120.61 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -155.73 105.98 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.62 -139.61 6.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -167.58 173.35 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 111.919 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.8 m -100.56 137.53 38.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.957 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 8.7 pt -130.57 148.73 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.507 177.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.656 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.32 85.41 6.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.674 0.749 . . . . 0.0 109.801 171.676 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . 64.0 m -172.33 167.92 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.227 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 8.6 mmpt? -105.68 -7.72 18.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.206 0.527 . . . . 0.0 109.883 176.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -119.96 120.58 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.038 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -85.73 139.45 35.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.678 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.483 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 36.7 Cg_endo -70.08 148.45 63.05 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.704 2.27 . . . . 0.0 111.695 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -84.36 149.55 55.34 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -91.87 113.23 1.66 Allowed 'Cis proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.024 -2.073 . . . . 0.0 112.221 -5.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 46.4 m-85 -156.94 156.1 32.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.544 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.82 147.35 35.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.436 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.77 90.9 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.932 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -87.8 89.55 8.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.891 -177.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.38 -103.35 0.07 OUTLIER Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 113.332 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 p -144.15 159.93 41.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -176.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.53 -158.09 0.69 Allowed 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.1 m -32.02 104.51 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.565 0.541 . . . . 0.0 111.791 173.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.445 ' C ' ' H ' ' A' ' 35' ' ' GLN . 35.3 m95 56.19 172.66 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.039 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -78.36 26.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.792 -0.567 . . . . 0.0 110.941 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 33' ' ' TRP . 65.9 mm-40 -104.43 -33.58 8.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.024 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -112.39 139.89 47.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.445 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.5 m -99.96 141.97 32.06 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.714 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 12.2 t -79.74 131.34 35.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.4 m -117.92 111.29 18.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.099 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.683 -178.377 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.444 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 51.5 Cg_exo . . . . . 0 CA--C 1.527 0.134 0 N-CA-C 114.601 0.962 . . . . 0.0 114.601 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HD3' ' OD1' ' A' ' 4' ' ' ASP . 17.3 ttt-85 -160.91 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.54 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.466 ' OD1' ' HD3' ' A' ' 3' ' ' ARG . 27.3 m-20 -88.73 -6.1 57.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.153 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -49.29 -48.29 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.959 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.404 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.9 m -61.8 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -176.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.98 -45.67 90.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.318 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.07 -42.26 89.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.907 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 6' ' ' SER . 11.8 p -80.1 -10.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.264 0.554 . . . . 0.0 110.619 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.73 -17.75 71.5 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.0 -117.23 0.15 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.504 ' O ' HG12 ' A' ' 40' ' ' VAL . 79.7 m-70 -158.72 106.77 1.89 Allowed 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.87 -145.41 10.23 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.832 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.412 ' CE1' HG22 ' A' ' 16' ' ' ILE . 14.8 p90 -163.02 175.02 11.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 111.8 -175.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -107.75 121.02 43.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.955 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.412 HG22 ' CE1' ' A' ' 14' ' ' TYR . 10.6 pt -112.66 147.2 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 0.0 110.626 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.694 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -85.61 84.5 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.919 0.866 . . . . 0.0 109.358 172.011 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t 177.83 165.97 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.091 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -109.52 7.92 24.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.255 0.55 . . . . 0.0 109.822 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.84 115.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.057 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.4 m -88.41 135.97 32.13 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 111.902 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 38.0 Cg_endo -73.26 148.99 44.73 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.701 2.267 . . . . 0.0 111.563 173.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -83.07 150.86 62.32 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.155 0.502 . . . . 0.0 111.909 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.79 112.56 1.51 Allowed 'Cis proline' 0 N--CA 1.452 -0.97 0 C-N-CA 121.878 -2.134 . . . . 0.0 112.161 -3.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 45.8 m-85 -157.41 158.47 35.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.235 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.66 40.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.032 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.09 89.36 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.265 0.555 . . . . 0.0 110.18 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.681 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 18.0 t80 -84.81 93.88 8.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.242 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -108.26 0.39 Allowed Glycine 0 C--N 1.334 0.421 0 CA-C-N 116.097 -0.502 . . . . 0.0 113.072 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -142.55 159.51 42.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.324 0.583 . . . . 0.0 110.166 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.33 -158.75 0.66 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 173.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.444 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.8 m -33.03 104.77 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 123.491 0.494 . . . . 0.0 111.904 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.464 ' C ' ' H ' ' A' ' 35' ' ' GLN . 43.8 m95 58.57 167.94 0.05 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.792 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.33 26.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.332 0.587 . . . . 0.0 111.113 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 33' ' ' TRP . 63.8 mm-40 -104.36 -40.31 6.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.875 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 3.4 mmmm -103.7 138.44 40.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.376 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.4 m -97.56 144.25 27.44 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.681 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.8 t -81.21 131.0 35.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.49 110.57 19.47 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.142 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 12' ' ' HIS . 5.7 m . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.311 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.505 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 13.4 Cg_exo . . . . . 0 CA--C 1.532 0.388 0 N-CA-C 115.523 1.316 . . . . 0.0 115.523 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.537 ' HG2' ' CE3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -161.65 -53.99 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -176.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.404 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 67.9 m-20 -107.28 -6.32 17.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.586 -177.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -53.22 -48.54 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.449 ' HA ' HG12 ' A' ' 9' ' ' VAL . 15.6 m -62.2 -31.71 72.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 0.0 111.052 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.92 -46.84 73.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.963 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -62.99 -41.96 99.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.608 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 6' ' ' SER . 14.2 p -81.46 -9.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.35 0.595 . . . . 0.0 110.325 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.71 72.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 169.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -91.02 -121.89 0.07 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.409 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.8 m-70 -158.42 107.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.33 -133.93 2.97 Favored Glycine 0 CA--C 1.505 -0.537 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.267 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -168.22 171.69 9.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.231 0.538 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.1 m -107.56 133.2 52.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.877 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 18' ' ' SER . 18.3 pt -123.85 146.89 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.173 0.511 . . . . 0.0 110.893 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -88.2 86.76 7.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.446 0.641 . . . . 0.0 109.688 167.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.428 ' HB3' HD12 ' A' ' 16' ' ' ILE . 45.6 t -178.89 173.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -112.2 -5.39 14.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -119.36 120.37 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -93.58 133.72 27.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.105 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.514 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 30.2 Cg_endo -66.42 156.83 63.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 111.403 175.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 12.5 mptt -99.34 150.75 37.03 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-O 121.143 0.497 . . . . 0.0 111.599 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -90.47 113.15 1.92 Allowed 'Cis proline' 0 N--CA 1.454 -0.826 0 C-N-CA 121.94 -2.108 . . . . 0.0 112.982 -2.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 53.4 m-85 -156.11 153.81 29.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.781 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.61 145.83 39.69 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.166 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.75 88.33 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.304 0.573 . . . . 0.0 109.902 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.657 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 22.5 t80 -80.65 90.68 5.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.128 -175.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.75 -108.3 0.32 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.022 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 p -140.34 157.15 46.0 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.866 0.841 . . . . 0.0 111.503 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.37 -157.2 0.61 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.036 -1.438 . . . . 0.0 107.97 174.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.505 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.2 m -32.09 105.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.737 0.648 . . . . 0.0 111.568 171.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.537 ' CE3' ' HG2' ' A' ' 3' ' ' ARG . 44.1 m95 56.05 175.86 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.757 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -78.02 25.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.564 0.697 . . . . 0.0 110.397 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 33' ' ' TRP . 22.3 mm-40 -102.46 -41.03 6.43 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.255 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -105.94 142.52 35.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.105 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -100.51 144.89 28.97 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.9 t -86.51 135.09 33.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -119.51 109.84 16.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.951 0.405 . . . . 0.0 110.12 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 12' ' ' HIS . 9.9 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.054 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.442 ' HG2' ' CB ' ' A' ' 32' ' ' SER . 5.0 Cg_exo -33.0 -83.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 125.217 3.945 . . . . 0.0 115.358 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 14.0 ptm180 -161.31 -52.75 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.7 m-20 -110.25 -3.03 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.3 m -57.41 -49.62 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.087 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.48 ' HA ' HG12 ' A' ' 9' ' ' VAL . 13.7 m -63.87 -27.01 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.748 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.481 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 66.2 ttt180 -65.96 -50.67 63.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.915 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 m -74.64 -37.43 62.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.122 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' A' ' 6' ' ' SER . 14.5 p -73.27 -15.32 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.333 0.587 . . . . 0.0 110.089 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.34 -17.62 68.58 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 171.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -89.5 -117.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -154.29 107.97 2.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.44 -138.02 5.42 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.66 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -166.75 172.48 10.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.223 0.535 . . . . 0.0 111.795 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -112.01 133.39 54.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.556 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.456 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 29.1 pt -126.26 156.32 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 110.833 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.558 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 83.63 6.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.878 170.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 t 178.3 153.13 0.32 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -99.84 5.06 45.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.728 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.8 t -123.06 108.05 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.081 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.9 m -79.02 135.85 58.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.459 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.3 Cg_endo -64.07 146.17 90.51 Favored 'Trans proline' 0 CA--C 1.518 -0.307 0 C-N-CA 122.784 2.323 . . . . 0.0 111.237 174.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -90.38 150.95 43.85 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-O 121.118 0.485 . . . . 0.0 111.383 -176.762 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -90.8 113.13 1.86 Allowed 'Cis proline' 0 N--CA 1.453 -0.906 0 C-N-CA 121.881 -2.133 . . . . 0.0 112.775 -1.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 51.7 m-85 -155.72 157.98 37.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.077 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.51 147.72 43.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.85 89.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 13.1 t80 -84.0 90.35 7.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.767 -178.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.47 -120.98 15.28 Favored Glycine 0 C--N 1.332 0.342 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.148 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 p -140.97 138.44 33.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.481 0.658 . . . . 0.0 111.435 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.6 m -92.55 -160.99 0.79 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.231 173.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.442 ' CB ' ' HG2' ' A' ' 2' ' ' PRO . 5.9 m -21.89 107.09 0.02 OUTLIER 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.602 1.189 . . . . 0.0 113.2 -176.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.7 m95 61.3 -120.7 0.79 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.872 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -130.94 25.78 4.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.653 0.74 . . . . 0.0 109.621 172.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -98.92 -38.99 8.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.93 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -107.68 145.08 33.87 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.686 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.3 m -101.18 144.77 29.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.9 m -85.65 127.95 34.63 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.448 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -111.88 107.98 17.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.252 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.29 179.39 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 30.8 Cg_exo -35.9 -81.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.527 3.484 . . . . 0.0 115.146 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HD3' ' HA ' ' A' ' 33' ' ' TRP . 14.7 ptm180 -161.05 -47.5 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.6 m-20 -119.84 -2.49 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.714 0.292 . . . . 0.0 111.374 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -56.04 -55.72 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.876 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -64.82 -26.15 68.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.03 -42.09 76.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.094 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 t -75.85 -20.77 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.223 0.535 . . . . 0.0 109.687 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.59 -33.86 63.27 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 171.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -86.23 -117.75 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 169.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.492 ' O ' HG12 ' A' ' 40' ' ' VAL . 65.3 m-70 -157.23 106.49 2.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.7 -143.56 7.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.639 -1.267 . . . . 0.0 112.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -164.13 175.97 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.109 0.481 . . . . 0.0 111.445 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.21 134.87 49.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.437 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 10.0 pt -130.27 151.26 35.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.771 176.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.635 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.02 84.38 6.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 169.508 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t 176.62 152.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -96.41 11.6 34.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.116 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -122.76 103.23 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m -82.92 141.45 43.88 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.518 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 43.8 Cg_endo -73.9 153.86 47.85 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.74 2.294 . . . . 0.0 110.943 175.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -95.41 148.47 34.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-O 121.176 0.513 . . . . 0.0 111.503 -176.5 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.07 113.67 1.73 Allowed 'Cis proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.097 -2.043 . . . . 0.0 113.07 -2.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 35.1 m-85 -154.29 157.68 39.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.139 174.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 139.55 49.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.45 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 89.8 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 110.151 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 23.2 t80 -83.45 88.94 6.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.129 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.61 -103.53 0.05 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.845 0.716 . . . . 0.0 113.4 174.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -137.76 157.98 45.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.595 0.712 . . . . 0.0 111.288 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.18 -157.98 0.66 Allowed 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.473 -1.24 . . . . 0.0 107.81 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.493 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.0 m -31.5 104.78 0.03 OUTLIER 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.711 0.632 . . . . 0.0 111.684 172.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.503 ' HA ' ' HD3' ' A' ' 3' ' ' ARG . 33.5 m95 57.1 169.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.085 -178.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -76.57 25.34 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.286 0.565 . . . . 0.0 110.905 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.478 ' H ' ' C ' ' A' ' 33' ' ' TRP . 8.8 mm100 -104.03 -31.5 9.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.925 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -115.13 144.9 42.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.855 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.4 m -100.79 147.08 26.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 7.4 t -87.21 140.67 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.6 m -120.9 108.99 14.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.27 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 12' ' ' HIS . 4.9 m . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.443 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.486 ' CG ' ' HB3' ' A' ' 32' ' ' SER . 31.2 Cg_exo -26.53 -81.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 1 C-N-CA 125.38 4.054 . . . . 0.0 115.072 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.433 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.3 ptm180 -161.92 -51.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.6 0.238 . . . . 0.0 111.538 -174.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -53.98 -54.49 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.91 0.386 . . . . 0.0 111.101 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.479 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.9 m -61.83 -30.95 71.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.588 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -64.77 -50.43 66.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.178 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.3 t -63.92 -41.3 97.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.759 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.6 p -79.46 -7.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.501 0.667 . . . . 0.0 110.285 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -20.39 75.54 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -95.24 -125.74 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' HG12 ' A' ' 40' ' ' VAL . 78.2 m-70 -155.85 106.15 2.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.22 -134.11 3.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.983 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -164.21 173.8 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 111.45 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.5 m -117.35 123.72 47.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.069 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.2 pt -113.78 148.8 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.206 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.08 81.13 6.85 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.662 0.744 . . . . 0.0 109.845 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 m 178.92 178.0 0.47 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.3 -1.318 . . . . 0.0 107.532 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -127.17 28.91 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.432 0.635 . . . . 0.0 110.2 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.27 101.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.713 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.7 m -87.87 126.83 60.08 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -70.8 148.92 59.4 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.705 2.27 . . . . 0.0 111.592 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -77.7 150.68 79.18 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 121.289 0.566 . . . . 0.0 111.952 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -91.92 111.6 1.27 Allowed 'Cis proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.609 -2.246 . . . . 0.0 112.058 -6.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -157.31 158.95 36.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.71 145.72 41.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.539 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 88.92 1.35 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.197 0.523 . . . . 0.0 110.001 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 25.4 t80 -85.11 90.22 7.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.153 -176.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.79 -115.43 1.93 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.235 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.7 p -137.98 151.25 47.75 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.655 0.741 . . . . 0.0 111.483 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 1.3 m -104.85 -157.6 0.62 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.105 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.486 ' HB3' ' CG ' ' A' ' 2' ' ' PRO . 1.8 m -29.75 104.25 0.03 OUTLIER 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.679 0.612 . . . . 0.0 112.109 171.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.472 ' C ' ' H ' ' A' ' 35' ' ' GLN . 28.7 m95 55.96 169.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.58 -176.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -73.02 14.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.685 -0.635 . . . . 0.0 111.335 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 33' ' ' TRP . 10.8 mm100 -93.38 -47.01 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.025 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -94.23 139.13 31.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.791 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.8 m -101.82 145.63 28.91 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 29.4 t -84.28 134.73 34.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.686 0.279 . . . . 0.0 110.262 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -116.84 108.95 16.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 12' ' ' HIS . 7.9 m . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.704 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.456 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 36.4 Cg_exo -42.17 -79.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.877 3.051 . . . . 0.0 113.667 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.525 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 14.8 ptm180 -160.49 -49.1 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.1 m-20 -126.14 -2.68 7.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -172.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.8 m -47.26 -63.16 1.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -63.77 -25.5 68.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 -175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 34.7 ttm180 -63.23 -50.06 71.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 38' ' ' CYS . 38.4 m -73.43 -41.61 63.04 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 5' ' ' THR . 13.2 t -71.53 -20.45 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.305 0.574 . . . . 0.0 109.962 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.54 -26.08 66.08 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.827 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -79.26 -106.88 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' HG12 ' A' ' 40' ' ' VAL . 83.9 m-70 -153.84 105.74 2.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.06 -143.12 9.58 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.609 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 16' ' ' ILE . 5.9 p90 -161.67 179.89 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.563 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.4 136.31 49.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.83 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.565 HG22 ' CE1' ' A' ' 14' ' ' TYR . 5.2 pt -131.56 149.98 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.598 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.98 86.02 6.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.076 0.465 . . . . 0.0 109.795 170.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 t 177.88 149.35 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.241 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -91.99 -2.09 56.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.17 0.51 . . . . 0.0 110.5 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.2 t -114.53 108.8 26.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.957 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 m -81.15 129.59 66.38 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.159 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 22.1 Cg_endo -63.79 148.08 92.11 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.038 2.492 . . . . 0.0 111.864 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -83.18 147.77 54.56 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-O 120.969 0.414 . . . . 0.0 111.263 -179.456 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -92.38 114.36 1.85 Allowed 'Cis proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.45 -6.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 28.3 m-85 -156.45 159.71 38.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.087 177.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.82 138.36 51.56 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.523 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.59 101.74 3.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.314 0.578 . . . . 0.0 110.017 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 8.5 t80 -97.12 96.06 8.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.832 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.67 -119.38 5.71 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.446 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.0 p -140.95 138.65 33.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 111.151 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.2 m -89.56 -158.03 0.49 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.937 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.456 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 2.2 m -34.23 103.53 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 123.732 0.645 . . . . 0.0 111.265 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.525 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 21.7 m95 55.78 172.87 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.525 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -78.72 26.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.48 -0.762 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 33' ' ' TRP . 17.3 mm-40 -101.66 -29.27 12.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.716 -178.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HE3' ' HG3' ' A' ' 17' ' ' ARG . 4.0 mmmm -118.73 138.29 52.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.508 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 m -100.5 146.16 27.4 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.2 m -85.38 134.73 34.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.2 m -118.35 110.32 17.35 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.79 0.328 . . . . 0.0 110.249 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 12' ' ' HIS . 4.1 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.503 ' HG ' ' OG ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.522 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 46.6 Cg_exo -39.43 -78.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.943 3.096 . . . . 0.0 114.02 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.55 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 12.2 ptm180 -161.66 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.258 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.2 m-20 -120.41 -2.68 10.0 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -48.53 -56.95 6.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.528 ' HA ' HG12 ' A' ' 9' ' ' VAL . 42.6 m -68.44 -24.0 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 111.335 -174.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -70.12 -41.78 73.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.998 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.41 -43.21 67.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.731 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 6' ' ' SER . 13.1 p -79.46 -9.25 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.09 -21.98 70.3 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 170.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.53 -116.92 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.412 ' C ' HG12 ' A' ' 40' ' ' VAL . 84.0 m-70 -158.0 106.85 2.04 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.12 -139.43 5.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.265 -0.969 . . . . 0.0 112.2 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -166.59 174.99 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 0.0 111.636 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.1 m -104.5 137.08 42.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.814 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.2 pt -129.92 149.1 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.23 85.03 6.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.855 0.836 . . . . 0.0 110.302 170.612 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 t 179.15 162.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.323 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -106.13 9.42 32.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.894 0.378 . . . . 0.0 110.694 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.05 105.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.876 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.5 m -82.2 130.2 60.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.491 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 29.3 Cg_endo -67.19 150.73 81.9 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.818 2.345 . . . . 0.0 111.679 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -85.55 151.51 55.96 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 121.388 0.613 . . . . 0.0 112.034 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -91.11 112.47 1.62 Allowed 'Cis proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.747 -2.189 . . . . 0.0 112.08 -4.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.491 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 54.7 m-85 -156.01 155.52 32.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.676 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.35 145.4 41.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.98 89.71 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.266 0.555 . . . . 0.0 110.005 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.696 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.9 t80 -85.17 89.47 7.64 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.995 -177.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.93 -109.24 0.44 Allowed Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.236 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p -139.08 156.16 47.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.279 0.561 . . . . 0.0 110.99 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.62 -158.37 0.65 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 174.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.522 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.3 m -34.28 104.43 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 123.529 0.518 . . . . 0.0 111.429 172.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.55 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 31.5 m95 57.79 167.85 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.566 -177.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -76.95 26.19 0.14 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.528 -0.732 . . . . 0.0 110.639 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' A' ' 33' ' ' TRP . 9.6 mm100 -103.19 -28.06 12.14 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.344 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.74 138.5 52.62 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.348 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.6 m -99.26 145.16 27.57 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.696 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 13.8 t -82.38 132.69 35.21 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.058 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.0 m -118.56 112.18 19.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.971 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 12' ' ' HIS . 3.8 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.83 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.519 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 69.7 Cg_exo -35.22 -81.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.273 3.315 . . . . 0.0 114.181 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.463 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.5 ptm180 -162.78 -51.98 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.717 0.294 . . . . 0.0 111.442 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 -10.1 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -46.99 -51.62 16.69 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' HA ' HG12 ' A' ' 9' ' ' VAL . 18.3 m -59.48 -39.37 83.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.019 0.438 . . . . 0.0 111.026 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -63.01 -42.99 99.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.32 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.1 t -68.6 -42.57 78.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.4 p -78.72 -16.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.897 0.38 . . . . 0.0 110.981 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.45 -21.57 66.79 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -90.2 -116.9 0.07 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.9 m-70 -160.34 106.52 1.53 Allowed 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.22 -138.79 5.27 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 119.94 -1.124 . . . . 0.0 112.034 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -170.25 171.44 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.179 0.514 . . . . 0.0 111.4 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.52 131.03 55.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.765 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -124.86 153.92 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.033 0.444 . . . . 0.0 110.629 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.534 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -86.13 83.3 7.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.628 0.728 . . . . 0.0 110.162 171.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 t 177.7 171.97 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -120.34 10.06 11.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 174.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.82 105.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.551 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.22 131.03 52.01 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.046 0.45 . . . . 0.0 111.922 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.4 Cg_endo -63.17 154.57 66.8 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.131 2.554 . . . . 0.0 111.428 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 3.4 mptp? -96.05 150.42 37.23 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 121.166 0.507 . . . . 0.0 111.663 -175.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -90.97 113.81 2.04 Favored 'Cis proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.053 -2.061 . . . . 0.0 112.604 -4.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 50.2 m-85 -157.41 151.52 24.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.59 144.74 34.18 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.19 88.87 1.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.518 . . . . 0.0 109.77 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.5 t80 -81.71 94.22 6.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.187 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.04 -106.86 0.2 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.995 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 p -144.09 157.08 44.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.555 0.693 . . . . 0.0 110.998 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.24 -158.13 0.64 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.668 175.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.2 m -31.97 105.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.859 0.724 . . . . 0.0 111.516 170.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.507 ' C ' ' H ' ' A' ' 35' ' ' GLN . 32.6 m95 56.57 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.657 -175.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.09 25.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.513 0.673 . . . . 0.0 110.698 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' A' ' 33' ' ' TRP . 9.3 mm100 -103.82 -41.71 5.82 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.083 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -103.57 139.73 38.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 m -100.49 147.07 26.3 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 20.1 t -84.13 135.6 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.509 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -117.98 109.12 16.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.259 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 12' ' ' HIS . 5.4 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.46 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 44.1 Cg_exo -41.58 -78.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.102 3.202 . . . . 0.0 114.526 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 3' ' ' ARG . 11.9 ttt180 -161.3 -77.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.468 -175.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.404 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 1.1 m-20 -85.53 -3.14 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.066 -178.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -57.88 -50.36 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.163 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.4 m -61.3 -32.23 72.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 110.358 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -67.01 -49.44 65.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.372 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.61 -41.97 98.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.958 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.0 p -78.84 -12.4 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.331 0.586 . . . . 0.0 110.283 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -22.77 69.52 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 170.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.01 -120.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.439 ' O ' HG12 ' A' ' 40' ' ' VAL . 82.0 m-70 -157.47 106.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -177.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.9 -138.22 5.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.519 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -163.94 169.65 17.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.8 m -108.96 132.92 53.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.868 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 pt -124.36 151.09 29.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.413 . . . . 0.0 110.509 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.637 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.86 83.15 6.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.245 0.545 . . . . 0.0 109.758 170.274 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -176.71 152.23 0.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.61 -9.5 34.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.348 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.75 119.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.025 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 m -88.15 137.81 30.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.86 0.362 . . . . 0.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.516 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 34.7 Cg_endo -69.04 157.31 62.28 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.896 2.398 . . . . 0.0 111.645 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.5 148.86 45.27 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -96.01 110.62 0.7 Allowed 'Cis proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.155 -1.602 . . . . 0.0 111.107 -3.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 64.9 m-85 -156.79 157.14 34.47 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.884 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.42 142.0 46.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.135 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 89.56 0.69 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -82.32 92.63 7.0 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.823 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.35 -105.68 0.11 Allowed Glycine 0 N--CA 1.448 -0.528 0 O-C-N 123.788 0.68 . . . . 0.0 113.27 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 p -146.06 155.05 42.52 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.98 0.895 . . . . 0.0 111.583 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 1.7 m -110.72 -160.64 0.72 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.839 170.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.46 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.7 m -20.78 108.06 0.02 OUTLIER 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.689 1.243 . . . . 0.0 113.378 -176.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 39.5 m95 61.85 -116.31 0.6 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.615 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.91 25.43 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 108.958 168.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -92.83 -43.81 8.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.761 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.43 150.86 25.64 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.0 m -101.44 144.37 30.31 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.67 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 35.8 t -86.7 132.82 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.3 m -118.92 109.99 16.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 12' ' ' HIS . 6.0 m . . . . . 0 C--O 1.251 1.143 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.19 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.525 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 24.7 Cg_exo -26.83 -82.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 1 C-N-CA 125.374 4.049 . . . . 0.0 115.682 -177.404 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 10.5 ptm180 -161.44 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 2.1 m-20 -119.79 -7.76 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -52.64 -57.78 8.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 9' ' ' VAL . 16.8 m -59.73 -36.44 76.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.723 -178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -61.81 -50.47 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.563 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.7 t -65.61 -42.74 91.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.125 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 6' ' ' SER . 11.4 p -76.91 -12.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 0.0 110.661 -175.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.36 71.56 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 171.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -89.73 -120.61 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -155.73 105.98 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.62 -139.61 6.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -167.58 173.35 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 111.919 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.8 m -100.56 137.53 38.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.957 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 8.7 pt -130.57 148.73 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.507 177.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.656 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.32 85.41 6.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.674 0.749 . . . . 0.0 109.801 171.676 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . 64.0 m -172.33 167.92 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.227 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 8.6 mmpt? -105.68 -7.72 18.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.206 0.527 . . . . 0.0 109.883 176.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -119.96 120.58 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.038 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -85.73 139.45 35.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.678 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.483 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 36.7 Cg_endo -70.08 148.45 63.05 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.704 2.27 . . . . 0.0 111.695 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -84.36 149.55 55.34 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -91.87 113.23 1.66 Allowed 'Cis proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.024 -2.073 . . . . 0.0 112.221 -5.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 46.4 m-85 -156.94 156.1 32.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.544 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.82 147.35 35.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.436 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.77 90.9 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.932 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -87.8 89.55 8.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.891 -177.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.38 -103.35 0.07 OUTLIER Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 113.332 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 p -144.15 159.93 41.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -176.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.53 -158.09 0.69 Allowed 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.1 m -32.02 104.51 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.565 0.541 . . . . 0.0 111.791 173.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.445 ' C ' ' H ' ' A' ' 35' ' ' GLN . 35.3 m95 56.19 172.66 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.039 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -78.36 26.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.792 -0.567 . . . . 0.0 110.941 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 33' ' ' TRP . 65.9 mm-40 -104.43 -33.58 8.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.024 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -112.39 139.89 47.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.445 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.5 m -99.96 141.97 32.06 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.714 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 12.2 t -79.74 131.34 35.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.4 m -117.92 111.29 18.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.099 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.683 -178.377 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.444 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 51.5 Cg_exo -39.62 -75.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.077 3.185 . . . . 0.0 114.601 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HD3' ' OD1' ' A' ' 4' ' ' ASP . 17.3 ttt-85 -160.91 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.54 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.466 ' OD1' ' HD3' ' A' ' 3' ' ' ARG . 27.3 m-20 -88.73 -6.1 57.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.153 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -49.29 -48.29 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.959 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.9 m -61.8 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -176.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.98 -45.67 90.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.318 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.07 -42.26 89.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.907 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 6' ' ' SER . 11.8 p -80.1 -10.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.264 0.554 . . . . 0.0 110.619 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.73 -17.75 71.5 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.0 -117.23 0.15 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.504 ' O ' HG12 ' A' ' 40' ' ' VAL . 79.7 m-70 -158.72 106.77 1.89 Allowed 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.87 -145.41 10.23 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.832 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.412 ' CE1' HG22 ' A' ' 16' ' ' ILE . 14.8 p90 -163.02 175.02 11.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 111.8 -175.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -107.75 121.02 43.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.955 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.412 HG22 ' CE1' ' A' ' 14' ' ' TYR . 10.6 pt -112.66 147.2 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 0.0 110.626 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.694 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -85.61 84.5 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.919 0.866 . . . . 0.0 109.358 172.011 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t 177.83 165.97 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.091 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -109.52 7.92 24.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.255 0.55 . . . . 0.0 109.822 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.84 115.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.057 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.4 m -88.41 135.97 32.13 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 111.902 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 38.0 Cg_endo -73.26 148.99 44.73 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.701 2.267 . . . . 0.0 111.563 173.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -83.07 150.86 62.32 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.155 0.502 . . . . 0.0 111.909 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.79 112.56 1.51 Allowed 'Cis proline' 0 N--CA 1.452 -0.97 0 C-N-CA 121.878 -2.134 . . . . 0.0 112.161 -3.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 45.8 m-85 -157.41 158.47 35.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.235 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.66 40.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.032 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.09 89.36 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.265 0.555 . . . . 0.0 110.18 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.681 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 18.0 t80 -84.81 93.88 8.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.242 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -108.26 0.39 Allowed Glycine 0 C--N 1.334 0.421 0 CA-C-N 116.097 -0.502 . . . . 0.0 113.072 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -142.55 159.51 42.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.324 0.583 . . . . 0.0 110.166 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.33 -158.75 0.66 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 173.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.444 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.8 m -33.03 104.77 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 123.491 0.494 . . . . 0.0 111.904 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.464 ' C ' ' H ' ' A' ' 35' ' ' GLN . 43.8 m95 58.57 167.94 0.05 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.792 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.33 26.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.332 0.587 . . . . 0.0 111.113 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 33' ' ' TRP . 63.8 mm-40 -104.36 -40.31 6.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.875 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 3.4 mmmm -103.7 138.44 40.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.376 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.4 m -97.56 144.25 27.44 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.681 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.8 t -81.21 131.0 35.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.49 110.57 19.47 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.142 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 12' ' ' HIS . 5.7 m . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.311 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.505 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 13.4 Cg_exo -28.87 -81.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 1 C-N-CA 125.422 4.081 . . . . 0.0 115.523 179.317 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.537 ' HG2' ' CE3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -161.65 -53.99 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -176.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.404 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 67.9 m-20 -107.28 -6.32 17.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.586 -177.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -53.22 -48.54 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.449 ' HA ' HG12 ' A' ' 9' ' ' VAL . 15.6 m -62.2 -31.71 72.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 0.0 111.052 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.92 -46.84 73.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.963 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -62.99 -41.96 99.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.608 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 6' ' ' SER . 14.2 p -81.46 -9.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.35 0.595 . . . . 0.0 110.325 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.71 72.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 169.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -91.02 -121.89 0.07 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.409 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.8 m-70 -158.42 107.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.33 -133.93 2.97 Favored Glycine 0 CA--C 1.505 -0.537 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.267 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -168.22 171.69 9.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.231 0.538 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.1 m -107.56 133.2 52.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.877 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 18' ' ' SER . 18.3 pt -123.85 146.89 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.173 0.511 . . . . 0.0 110.893 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -88.2 86.76 7.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.446 0.641 . . . . 0.0 109.688 167.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.428 ' HB3' HD12 ' A' ' 16' ' ' ILE . 45.6 t -178.89 173.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -112.2 -5.39 14.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -119.36 120.37 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -93.58 133.72 27.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.105 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.514 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 30.2 Cg_endo -66.42 156.83 63.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 111.403 175.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 12.5 mptt -99.34 150.75 37.03 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-O 121.143 0.497 . . . . 0.0 111.599 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -90.47 113.15 1.92 Allowed 'Cis proline' 0 N--CA 1.454 -0.826 0 C-N-CA 121.94 -2.108 . . . . 0.0 112.982 -2.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 53.4 m-85 -156.11 153.81 29.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.781 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.61 145.83 39.69 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.166 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.75 88.33 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.304 0.573 . . . . 0.0 109.902 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.657 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 22.5 t80 -80.65 90.68 5.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.128 -175.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.75 -108.3 0.32 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.022 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 p -140.34 157.15 46.0 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.866 0.841 . . . . 0.0 111.503 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.37 -157.2 0.61 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.036 -1.438 . . . . 0.0 107.97 174.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.505 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.2 m -32.09 105.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.737 0.648 . . . . 0.0 111.568 171.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.537 ' CE3' ' HG2' ' A' ' 3' ' ' ARG . 44.1 m95 56.05 175.86 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.757 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -78.02 25.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.564 0.697 . . . . 0.0 110.397 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 33' ' ' TRP . 22.3 mm-40 -102.46 -41.03 6.43 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.255 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -105.94 142.52 35.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.105 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -100.51 144.89 28.97 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.9 t -86.51 135.09 33.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -119.51 109.84 16.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.951 0.405 . . . . 0.0 110.12 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 12' ' ' HIS . 9.9 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.054 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.442 ' HG2' ' CB ' ' A' ' 32' ' ' SER . 5.0 Cg_exo . . . . . 0 CA--C 1.534 0.501 0 N-CA-C 115.358 1.253 . . . . 0.0 115.358 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 14.0 ptm180 -161.31 -52.75 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.7 m-20 -110.25 -3.03 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.3 m -57.41 -49.62 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.087 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.48 ' HA ' HG12 ' A' ' 9' ' ' VAL . 13.7 m -63.87 -27.01 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.748 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.481 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 66.2 ttt180 -65.96 -50.67 63.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.915 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 m -74.64 -37.43 62.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.122 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' A' ' 6' ' ' SER . 14.5 p -73.27 -15.32 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.333 0.587 . . . . 0.0 110.089 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.34 -17.62 68.58 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 171.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -89.5 -117.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -154.29 107.97 2.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.44 -138.02 5.42 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.66 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -166.75 172.48 10.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.223 0.535 . . . . 0.0 111.795 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -112.01 133.39 54.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.556 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.456 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 29.1 pt -126.26 156.32 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 110.833 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.558 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 83.63 6.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.878 170.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 t 178.3 153.13 0.32 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -99.84 5.06 45.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.728 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.8 t -123.06 108.05 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.081 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.9 m -79.02 135.85 58.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.459 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.456 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.3 Cg_endo -64.07 146.17 90.51 Favored 'Trans proline' 0 CA--C 1.518 -0.307 0 C-N-CA 122.784 2.323 . . . . 0.0 111.237 174.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -90.38 150.95 43.85 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-O 121.118 0.485 . . . . 0.0 111.383 -176.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -90.8 113.13 1.86 Allowed 'Cis proline' 0 N--CA 1.453 -0.906 0 C-N-CA 121.881 -2.133 . . . . 0.0 112.775 -1.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 51.7 m-85 -155.72 157.98 37.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.077 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.51 147.72 43.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.85 89.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.598 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 13.1 t80 -84.0 90.35 7.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.767 -178.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.47 -120.98 15.28 Favored Glycine 0 C--N 1.332 0.342 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.148 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 p -140.97 138.44 33.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.481 0.658 . . . . 0.0 111.435 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.6 m -92.55 -160.99 0.79 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.231 173.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.442 ' CB ' ' HG2' ' A' ' 2' ' ' PRO . 5.9 m -21.89 107.09 0.02 OUTLIER 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.602 1.189 . . . . 0.0 113.2 -176.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.7 m95 61.3 -120.7 0.79 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.872 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -130.94 25.78 4.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.653 0.74 . . . . 0.0 109.621 172.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -98.92 -38.99 8.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.93 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -107.68 145.08 33.87 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.686 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.3 m -101.18 144.77 29.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.9 m -85.65 127.95 34.63 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.448 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -111.88 107.98 17.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.252 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.29 179.39 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 30.8 Cg_exo . . . . . 0 CA--C 1.534 0.497 0 N-CA-C 115.146 1.172 . . . . 0.0 115.146 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HD3' ' HA ' ' A' ' 33' ' ' TRP . 14.7 ptm180 -161.05 -47.5 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.6 m-20 -119.84 -2.49 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.714 0.292 . . . . 0.0 111.374 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -56.04 -55.72 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.876 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -64.82 -26.15 68.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.03 -42.09 76.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.094 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 t -75.85 -20.77 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.223 0.535 . . . . 0.0 109.687 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.59 -33.86 63.27 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 171.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -86.23 -117.75 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 169.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.492 ' O ' HG12 ' A' ' 40' ' ' VAL . 65.3 m-70 -157.23 106.49 2.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.7 -143.56 7.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.639 -1.267 . . . . 0.0 112.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -164.13 175.97 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.109 0.481 . . . . 0.0 111.445 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.21 134.87 49.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.437 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 10.0 pt -130.27 151.26 35.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.771 176.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.635 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.02 84.38 6.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 169.508 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t 176.62 152.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -96.41 11.6 34.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.116 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -122.76 103.23 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m -82.92 141.45 43.88 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.518 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 43.8 Cg_endo -73.9 153.86 47.85 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.74 2.294 . . . . 0.0 110.943 175.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -95.41 148.47 34.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-O 121.176 0.513 . . . . 0.0 111.503 -176.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.07 113.67 1.73 Allowed 'Cis proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.097 -2.043 . . . . 0.0 113.07 -2.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 35.1 m-85 -154.29 157.68 39.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.139 174.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 139.55 49.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.45 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 89.8 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 110.151 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 23.2 t80 -83.45 88.94 6.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.129 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.61 -103.53 0.05 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.845 0.716 . . . . 0.0 113.4 174.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -137.76 157.98 45.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.595 0.712 . . . . 0.0 111.288 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.18 -157.98 0.66 Allowed 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.473 -1.24 . . . . 0.0 107.81 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.493 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.0 m -31.5 104.78 0.03 OUTLIER 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.711 0.632 . . . . 0.0 111.684 172.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.503 ' HA ' ' HD3' ' A' ' 3' ' ' ARG . 33.5 m95 57.1 169.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.085 -178.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -76.57 25.34 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.286 0.565 . . . . 0.0 110.905 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.478 ' H ' ' C ' ' A' ' 33' ' ' TRP . 15.6 mm-40 -104.03 -31.5 9.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.925 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -115.13 144.9 42.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.855 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.4 m -100.79 147.08 26.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 7.4 t -87.21 140.67 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.6 m -120.9 108.99 14.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.27 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 12' ' ' HIS . 4.9 m . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.443 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.486 ' CG ' ' HB3' ' A' ' 32' ' ' SER . 31.2 Cg_exo . . . . . 0 CA--C 1.531 0.353 0 N-CA-C 115.072 1.143 . . . . 0.0 115.072 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.433 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.3 ptm180 -161.92 -51.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.6 0.238 . . . . 0.0 111.538 -174.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -53.98 -54.49 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.91 0.386 . . . . 0.0 111.101 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.479 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.9 m -61.83 -30.95 71.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.588 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -64.77 -50.43 66.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.178 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.3 t -63.92 -41.3 97.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.759 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.6 p -79.46 -7.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.501 0.667 . . . . 0.0 110.285 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -20.39 75.54 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -95.24 -125.74 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' HG12 ' A' ' 40' ' ' VAL . 78.2 m-70 -155.85 106.15 2.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.22 -134.11 3.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.983 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -164.21 173.8 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 111.45 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.5 m -117.35 123.72 47.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.069 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.2 pt -113.78 148.8 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.206 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.08 81.13 6.85 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.662 0.744 . . . . 0.0 109.845 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 m 178.92 178.0 0.47 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.3 -1.318 . . . . 0.0 107.532 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -127.17 28.91 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.432 0.635 . . . . 0.0 110.2 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.27 101.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.713 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.7 m -87.87 126.83 60.08 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -70.8 148.92 59.4 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.705 2.27 . . . . 0.0 111.592 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -77.7 150.68 79.18 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 121.289 0.566 . . . . 0.0 111.952 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -91.92 111.6 1.27 Allowed 'Cis proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.609 -2.246 . . . . 0.0 112.058 -6.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -157.31 158.95 36.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.71 145.72 41.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.539 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 88.92 1.35 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.197 0.523 . . . . 0.0 110.001 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 25.4 t80 -85.11 90.22 7.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.153 -176.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.79 -115.43 1.93 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.235 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.7 p -137.98 151.25 47.75 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.655 0.741 . . . . 0.0 111.483 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 1.3 m -104.85 -157.6 0.62 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.105 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.486 ' HB3' ' CG ' ' A' ' 2' ' ' PRO . 1.8 m -29.75 104.25 0.03 OUTLIER 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.679 0.612 . . . . 0.0 112.109 171.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.472 ' C ' ' H ' ' A' ' 35' ' ' GLN . 28.7 m95 55.96 169.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.58 -176.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -73.02 14.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.685 -0.635 . . . . 0.0 111.335 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 33' ' ' TRP . 23.9 mm-40 -93.38 -47.01 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.025 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -94.23 139.13 31.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.791 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.8 m -101.82 145.63 28.91 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 29.4 t -84.28 134.73 34.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.686 0.279 . . . . 0.0 110.262 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -116.84 108.95 16.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 12' ' ' HIS . 7.9 m . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.704 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.456 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 36.4 Cg_exo . . . . . 0 CA--C 1.532 0.386 0 N-CA-C 113.667 0.603 . . . . 0.0 113.667 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.525 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 14.8 ptm180 -160.49 -49.1 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.1 m-20 -126.14 -2.68 7.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -172.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.8 m -47.26 -63.16 1.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -63.77 -25.5 68.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 -175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 34.7 ttm180 -63.23 -50.06 71.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 38' ' ' CYS . 38.4 m -73.43 -41.61 63.04 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 5' ' ' THR . 13.2 t -71.53 -20.45 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.305 0.574 . . . . 0.0 109.962 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.54 -26.08 66.08 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.827 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -79.26 -106.88 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' HG12 ' A' ' 40' ' ' VAL . 83.9 m-70 -153.84 105.74 2.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.06 -143.12 9.58 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.609 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 16' ' ' ILE . 5.9 p90 -161.67 179.89 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.563 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.4 136.31 49.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.83 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.565 HG22 ' CE1' ' A' ' 14' ' ' TYR . 5.2 pt -131.56 149.98 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.598 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.98 86.02 6.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.076 0.465 . . . . 0.0 109.795 170.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 t 177.88 149.35 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.241 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -91.99 -2.09 56.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.17 0.51 . . . . 0.0 110.5 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.2 t -114.53 108.8 26.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.957 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 m -81.15 129.59 66.38 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.159 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 22.1 Cg_endo -63.79 148.08 92.11 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.038 2.492 . . . . 0.0 111.864 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -83.18 147.77 54.56 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-O 120.969 0.414 . . . . 0.0 111.263 -179.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -92.38 114.36 1.85 Allowed 'Cis proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.45 -6.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 28.3 m-85 -156.45 159.71 38.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.087 177.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.82 138.36 51.56 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.523 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.59 101.74 3.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.314 0.578 . . . . 0.0 110.017 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 8.5 t80 -97.12 96.06 8.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.832 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.67 -119.38 5.71 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.446 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.0 p -140.95 138.65 33.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 111.151 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.2 m -89.56 -158.03 0.49 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.937 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.456 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 2.2 m -34.23 103.53 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 123.732 0.645 . . . . 0.0 111.265 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.525 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 21.7 m95 55.78 172.87 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.525 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -78.72 26.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.48 -0.762 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 33' ' ' TRP . 17.3 mm-40 -101.66 -29.27 12.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.716 -178.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HE3' ' HG3' ' A' ' 17' ' ' ARG . 4.0 mmmm -118.73 138.29 52.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.508 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 m -100.5 146.16 27.4 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.2 m -85.38 134.73 34.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.2 m -118.35 110.32 17.35 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.79 0.328 . . . . 0.0 110.249 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 12' ' ' HIS . 4.1 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.522 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 46.6 Cg_exo . . . . . 0 CA--C 1.529 0.253 0 N-CA-C 114.02 0.738 . . . . 0.0 114.02 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.55 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 12.2 ptm180 -161.66 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.258 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.2 m-20 -120.41 -2.68 10.0 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -48.53 -56.95 6.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.528 ' HA ' HG12 ' A' ' 9' ' ' VAL . 42.6 m -68.44 -24.0 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 111.335 -174.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -70.12 -41.78 73.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.998 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.41 -43.21 67.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.731 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 6' ' ' SER . 13.1 p -79.46 -9.25 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.09 -21.98 70.3 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 170.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.53 -116.92 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.412 ' C ' HG12 ' A' ' 40' ' ' VAL . 84.0 m-70 -158.0 106.85 2.04 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.12 -139.43 5.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.265 -0.969 . . . . 0.0 112.2 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -166.59 174.99 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 0.0 111.636 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.1 m -104.5 137.08 42.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.814 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.2 pt -129.92 149.1 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.509 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.23 85.03 6.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.855 0.836 . . . . 0.0 110.302 170.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 t 179.15 162.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.323 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -106.13 9.42 32.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.894 0.378 . . . . 0.0 110.694 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.05 105.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.876 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.5 m -82.2 130.2 60.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.491 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 29.3 Cg_endo -67.19 150.73 81.9 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.818 2.345 . . . . 0.0 111.679 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -85.55 151.51 55.96 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 121.388 0.613 . . . . 0.0 112.034 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -91.11 112.47 1.62 Allowed 'Cis proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.747 -2.189 . . . . 0.0 112.08 -4.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.491 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 54.7 m-85 -156.01 155.52 32.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.676 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.35 145.4 41.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.98 89.71 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.266 0.555 . . . . 0.0 110.005 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.696 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.9 t80 -85.17 89.47 7.64 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.995 -177.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.93 -109.24 0.44 Allowed Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.236 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p -139.08 156.16 47.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.279 0.561 . . . . 0.0 110.99 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.62 -158.37 0.65 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 174.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.522 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.3 m -34.28 104.43 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 123.529 0.518 . . . . 0.0 111.429 172.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.55 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 31.5 m95 57.79 167.85 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.566 -177.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -76.95 26.19 0.14 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.528 -0.732 . . . . 0.0 110.639 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' A' ' 33' ' ' TRP . 19.4 mm-40 -103.19 -28.06 12.14 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.344 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.74 138.5 52.62 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.348 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.6 m -99.26 145.16 27.57 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.696 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 13.8 t -82.38 132.69 35.21 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.058 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.0 m -118.56 112.18 19.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.971 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 12' ' ' HIS . 3.8 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.83 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.519 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 69.7 Cg_exo . . . . . 0 CA--C 1.53 0.309 0 N-CA-C 114.181 0.8 . . . . 0.0 114.181 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.463 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.5 ptm180 -162.78 -51.98 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.717 0.294 . . . . 0.0 111.442 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 -10.1 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -46.99 -51.62 16.69 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.424 ' HA ' HG12 ' A' ' 9' ' ' VAL . 18.3 m -59.48 -39.37 83.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.019 0.438 . . . . 0.0 111.026 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -63.01 -42.99 99.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.32 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.1 t -68.6 -42.57 78.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.4 p -78.72 -16.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.897 0.38 . . . . 0.0 110.981 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.45 -21.57 66.79 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -90.2 -116.9 0.07 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.9 m-70 -160.34 106.52 1.53 Allowed 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.22 -138.79 5.27 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 119.94 -1.124 . . . . 0.0 112.034 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -170.25 171.44 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.179 0.514 . . . . 0.0 111.4 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.52 131.03 55.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.765 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -124.86 153.92 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.033 0.444 . . . . 0.0 110.629 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.534 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -86.13 83.3 7.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.628 0.728 . . . . 0.0 110.162 171.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 t 177.7 171.97 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -120.34 10.06 11.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 174.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.82 105.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.551 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.22 131.03 52.01 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.046 0.45 . . . . 0.0 111.922 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.4 Cg_endo -63.17 154.57 66.8 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.131 2.554 . . . . 0.0 111.428 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 3.4 mptp? -96.05 150.42 37.23 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 121.166 0.507 . . . . 0.0 111.663 -175.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -90.97 113.81 2.04 Favored 'Cis proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.053 -2.061 . . . . 0.0 112.604 -4.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 50.2 m-85 -157.41 151.52 24.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.59 144.74 34.18 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.19 88.87 1.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.518 . . . . 0.0 109.77 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.5 t80 -81.71 94.22 6.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.187 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.04 -106.86 0.2 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.995 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 p -144.09 157.08 44.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.555 0.693 . . . . 0.0 110.998 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.24 -158.13 0.64 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.668 175.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.2 m -31.97 105.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.859 0.724 . . . . 0.0 111.516 170.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.507 ' C ' ' H ' ' A' ' 35' ' ' GLN . 32.6 m95 56.57 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.657 -175.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.09 25.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.513 0.673 . . . . 0.0 110.698 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' A' ' 33' ' ' TRP . 16.9 mm-40 -103.82 -41.71 5.82 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.083 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -103.57 139.73 38.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 m -100.49 147.07 26.3 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 20.1 t -84.13 135.6 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.509 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -117.98 109.12 16.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.259 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 12' ' ' HIS . 5.4 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.46 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 44.1 Cg_exo . . . . . 0 CA--C 1.53 0.293 0 N-CA-C 114.526 0.933 . . . . 0.0 114.526 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 3' ' ' ARG . 11.9 ttt180 -161.3 -77.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.468 -175.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.404 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 1.1 m-20 -85.53 -3.14 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.066 -178.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -57.88 -50.36 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.163 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.4 m -61.3 -32.23 72.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 110.358 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -67.01 -49.44 65.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.372 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.61 -41.97 98.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.958 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.0 p -78.84 -12.4 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.331 0.586 . . . . 0.0 110.283 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -22.77 69.52 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 170.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.01 -120.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.439 ' O ' HG12 ' A' ' 40' ' ' VAL . 82.0 m-70 -157.47 106.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -177.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.9 -138.22 5.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.519 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -163.94 169.65 17.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.8 m -108.96 132.92 53.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.868 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 pt -124.36 151.09 29.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.413 . . . . 0.0 110.509 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.637 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.86 83.15 6.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.245 0.545 . . . . 0.0 109.758 170.274 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -176.71 152.23 0.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.61 -9.5 34.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.348 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.75 119.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.025 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 m -88.15 137.81 30.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.86 0.362 . . . . 0.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.516 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 34.7 Cg_endo -69.04 157.31 62.28 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.896 2.398 . . . . 0.0 111.645 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.5 148.86 45.27 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -96.01 110.62 0.7 Allowed 'Cis proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.155 -1.602 . . . . 0.0 111.107 -3.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 64.9 m-85 -156.79 157.14 34.47 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.884 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.42 142.0 46.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.135 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 89.56 0.69 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -82.32 92.63 7.0 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.823 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.35 -105.68 0.11 Allowed Glycine 0 N--CA 1.448 -0.528 0 O-C-N 123.788 0.68 . . . . 0.0 113.27 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 p -146.06 155.05 42.52 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.98 0.895 . . . . 0.0 111.583 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 1.7 m -110.72 -160.64 0.72 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.839 170.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.46 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.7 m -20.78 108.06 0.02 OUTLIER 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.689 1.243 . . . . 0.0 113.378 -176.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 39.5 m95 61.85 -116.31 0.6 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.615 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.91 25.43 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 108.958 168.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -92.83 -43.81 8.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.761 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.43 150.86 25.64 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.0 m -101.44 144.37 30.31 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.67 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 35.8 t -86.7 132.82 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.3 m -118.92 109.99 16.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 12' ' ' HIS . 6.0 m . . . . . 0 C--O 1.251 1.143 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.19 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.525 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 24.7 Cg_exo . . . . . 0 CA--C 1.533 0.435 0 N-CA-C 115.682 1.378 . . . . 0.0 115.682 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 10.5 ptm180 -161.44 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 2.1 m-20 -119.79 -7.76 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -52.64 -57.78 8.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 9' ' ' VAL . 16.8 m -59.73 -36.44 76.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.723 -178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -61.81 -50.47 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.563 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.7 t -65.61 -42.74 91.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.125 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 6' ' ' SER . 11.4 p -76.91 -12.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 0.0 110.661 -175.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.36 71.56 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 171.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -89.73 -120.61 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -155.73 105.98 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.62 -139.61 6.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -167.58 173.35 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 111.919 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.8 m -100.56 137.53 38.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.957 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 8.7 pt -130.57 148.73 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.507 177.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.656 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.32 85.41 6.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.674 0.749 . . . . 0.0 109.801 171.676 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . 64.0 m -172.33 167.92 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.227 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 8.6 mmpt? -105.68 -7.72 18.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.206 0.527 . . . . 0.0 109.883 176.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -119.96 120.58 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.038 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -85.73 139.45 35.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.678 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.483 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 36.7 Cg_endo -70.08 148.45 63.05 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.704 2.27 . . . . 0.0 111.695 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -84.36 149.55 55.34 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -91.87 113.23 1.66 Allowed 'Cis proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.024 -2.073 . . . . 0.0 112.221 -5.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 46.4 m-85 -156.94 156.1 32.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.544 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.82 147.35 35.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.436 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.77 90.9 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.932 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -87.8 89.55 8.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.891 -177.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.38 -103.35 0.07 OUTLIER Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 113.332 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 p -144.15 159.93 41.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -176.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.53 -158.09 0.69 Allowed 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.1 m -32.02 104.51 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.565 0.541 . . . . 0.0 111.791 173.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.445 ' C ' ' H ' ' A' ' 35' ' ' GLN . 35.3 m95 56.19 172.66 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.039 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -78.36 26.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.792 -0.567 . . . . 0.0 110.941 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 33' ' ' TRP . 65.9 mm-40 -104.43 -33.58 8.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.024 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -112.39 139.89 47.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.445 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.5 m -99.96 141.97 32.06 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.714 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 12.2 t -79.74 131.34 35.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.4 m -117.92 111.29 18.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.099 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.683 -178.377 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.444 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 51.5 Cg_exo . . . . . 0 CA--C 1.527 0.134 0 N-CA-C 114.601 0.962 . . . . 0.0 114.601 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HD3' ' OD1' ' A' ' 4' ' ' ASP . 17.3 ttt-85 -160.91 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.54 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.466 ' OD1' ' HD3' ' A' ' 3' ' ' ARG . 27.3 m-20 -88.73 -6.1 57.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.153 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -49.29 -48.29 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.959 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.404 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.9 m -61.8 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -176.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.98 -45.67 90.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.318 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.07 -42.26 89.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.907 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 6' ' ' SER . 11.8 p -80.1 -10.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.264 0.554 . . . . 0.0 110.619 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.73 -17.75 71.5 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.0 -117.23 0.15 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.504 ' O ' HG12 ' A' ' 40' ' ' VAL . 79.7 m-70 -158.72 106.77 1.89 Allowed 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.87 -145.41 10.23 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.832 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.412 ' CE1' HG22 ' A' ' 16' ' ' ILE . 14.8 p90 -163.02 175.02 11.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 111.8 -175.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -107.75 121.02 43.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.955 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.412 HG22 ' CE1' ' A' ' 14' ' ' TYR . 10.6 pt -112.66 147.2 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 0.0 110.626 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.694 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -85.61 84.5 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.919 0.866 . . . . 0.0 109.358 172.011 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t 177.83 165.97 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.091 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -109.52 7.92 24.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.255 0.55 . . . . 0.0 109.822 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.84 115.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.057 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.4 m -88.41 135.97 32.13 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 111.902 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 38.0 Cg_endo -73.26 148.99 44.73 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.701 2.267 . . . . 0.0 111.563 173.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -83.07 150.86 62.32 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.155 0.502 . . . . 0.0 111.909 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.79 112.56 1.51 Allowed 'Cis proline' 0 N--CA 1.452 -0.97 0 C-N-CA 121.878 -2.134 . . . . 0.0 112.161 -3.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 45.8 m-85 -157.41 158.47 35.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.235 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.66 40.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.032 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.09 89.36 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.265 0.555 . . . . 0.0 110.18 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.681 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 18.0 t80 -84.81 93.88 8.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.242 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -108.26 0.39 Allowed Glycine 0 C--N 1.334 0.421 0 CA-C-N 116.097 -0.502 . . . . 0.0 113.072 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -142.55 159.51 42.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.324 0.583 . . . . 0.0 110.166 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.33 -158.75 0.66 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 173.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.444 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.8 m -33.03 104.77 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 123.491 0.494 . . . . 0.0 111.904 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.464 ' C ' ' H ' ' A' ' 35' ' ' GLN . 43.8 m95 58.57 167.94 0.05 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.792 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.33 26.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.332 0.587 . . . . 0.0 111.113 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 33' ' ' TRP . 63.8 mm-40 -104.36 -40.31 6.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.875 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 3.4 mmmm -103.7 138.44 40.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.376 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.4 m -97.56 144.25 27.44 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.681 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.8 t -81.21 131.0 35.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.49 110.57 19.47 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.142 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 12' ' ' HIS . 5.7 m . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.311 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.505 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 13.4 Cg_exo . . . . . 0 CA--C 1.532 0.388 0 N-CA-C 115.523 1.316 . . . . 0.0 115.523 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.537 ' HG2' ' CE3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -161.65 -53.99 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -176.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.404 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 67.9 m-20 -107.28 -6.32 17.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.586 -177.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -53.22 -48.54 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.449 ' HA ' HG12 ' A' ' 9' ' ' VAL . 15.6 m -62.2 -31.71 72.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 0.0 111.052 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.92 -46.84 73.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.963 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -62.99 -41.96 99.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.608 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 6' ' ' SER . 14.2 p -81.46 -9.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.35 0.595 . . . . 0.0 110.325 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.71 72.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 169.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -91.02 -121.89 0.07 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.409 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.8 m-70 -158.42 107.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.33 -133.93 2.97 Favored Glycine 0 CA--C 1.505 -0.537 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.267 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -168.22 171.69 9.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.231 0.538 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.1 m -107.56 133.2 52.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.877 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 18' ' ' SER . 18.3 pt -123.85 146.89 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.173 0.511 . . . . 0.0 110.893 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -88.2 86.76 7.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.446 0.641 . . . . 0.0 109.688 167.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.428 ' HB3' HD12 ' A' ' 16' ' ' ILE . 45.6 t -178.89 173.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -112.2 -5.39 14.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -119.36 120.37 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -93.58 133.72 27.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.105 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.514 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 30.2 Cg_endo -66.42 156.83 63.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 111.403 175.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 12.5 mptt -99.34 150.75 37.03 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-O 121.143 0.497 . . . . 0.0 111.599 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -90.47 113.15 1.92 Allowed 'Cis proline' 0 N--CA 1.454 -0.826 0 C-N-CA 121.94 -2.108 . . . . 0.0 112.982 -2.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 53.4 m-85 -156.11 153.81 29.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.781 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.61 145.83 39.69 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.166 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.75 88.33 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.304 0.573 . . . . 0.0 109.902 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.657 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 22.5 t80 -80.65 90.68 5.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.128 -175.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.75 -108.3 0.32 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.022 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 p -140.34 157.15 46.0 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.866 0.841 . . . . 0.0 111.503 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.37 -157.2 0.61 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.036 -1.438 . . . . 0.0 107.97 174.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.505 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.2 m -32.09 105.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.737 0.648 . . . . 0.0 111.568 171.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.537 ' CE3' ' HG2' ' A' ' 3' ' ' ARG . 44.1 m95 56.05 175.86 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.757 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -78.02 25.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.564 0.697 . . . . 0.0 110.397 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 33' ' ' TRP . 22.3 mm-40 -102.46 -41.03 6.43 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.255 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -105.94 142.52 35.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.105 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -100.51 144.89 28.97 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.9 t -86.51 135.09 33.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -119.51 109.84 16.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.951 0.405 . . . . 0.0 110.12 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 12' ' ' HIS . 9.9 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.054 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.442 ' HG2' ' CB ' ' A' ' 32' ' ' SER . 5.0 Cg_exo -33.0 -83.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 125.217 3.945 . . . . 0.0 115.358 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 14.0 ptm180 -161.31 -52.75 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.7 m-20 -110.25 -3.03 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.3 m -57.41 -49.62 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.087 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.48 ' HA ' HG12 ' A' ' 9' ' ' VAL . 13.7 m -63.87 -27.01 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.748 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.481 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 66.2 ttt180 -65.96 -50.67 63.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.915 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 m -74.64 -37.43 62.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.122 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' A' ' 6' ' ' SER . 14.5 p -73.27 -15.32 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.333 0.587 . . . . 0.0 110.089 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.34 -17.62 68.58 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 171.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -89.5 -117.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -154.29 107.97 2.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.44 -138.02 5.42 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.66 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -166.75 172.48 10.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.223 0.535 . . . . 0.0 111.795 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -112.01 133.39 54.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.556 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.456 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 29.1 pt -126.26 156.32 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 110.833 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.558 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 83.63 6.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.878 170.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 t 178.3 153.13 0.32 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -99.84 5.06 45.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.728 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.8 t -123.06 108.05 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.081 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.9 m -79.02 135.85 58.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.459 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.3 Cg_endo -64.07 146.17 90.51 Favored 'Trans proline' 0 CA--C 1.518 -0.307 0 C-N-CA 122.784 2.323 . . . . 0.0 111.237 174.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -90.38 150.95 43.85 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-O 121.118 0.485 . . . . 0.0 111.383 -176.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -90.8 113.13 1.86 Allowed 'Cis proline' 0 N--CA 1.453 -0.906 0 C-N-CA 121.881 -2.133 . . . . 0.0 112.775 -1.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 51.7 m-85 -155.72 157.98 37.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.077 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.51 147.72 43.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.85 89.89 1.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 110.258 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 13.1 t80 -84.0 90.35 7.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.767 -178.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.47 -120.98 15.28 Favored Glycine 0 C--N 1.332 0.342 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.148 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 p -140.97 138.44 33.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.481 0.658 . . . . 0.0 111.435 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.6 m -92.55 -160.99 0.79 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.449 -1.25 . . . . 0.0 108.231 173.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.442 ' CB ' ' HG2' ' A' ' 2' ' ' PRO . 5.9 m -21.89 107.09 0.02 OUTLIER 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.602 1.189 . . . . 0.0 113.2 -176.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.7 m95 61.3 -120.7 0.79 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.872 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -130.94 25.78 4.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.653 0.74 . . . . 0.0 109.621 172.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -98.92 -38.99 8.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.93 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -107.68 145.08 33.87 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.686 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.3 m -101.18 144.77 29.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.9 m -85.65 127.95 34.63 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.448 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -111.88 107.98 17.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.252 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.29 179.39 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 30.8 Cg_exo -35.9 -81.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.527 3.484 . . . . 0.0 115.146 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HD3' ' HA ' ' A' ' 33' ' ' TRP . 14.7 ptm180 -161.05 -47.5 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.6 m-20 -119.84 -2.49 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.714 0.292 . . . . 0.0 111.374 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -56.04 -55.72 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.876 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -64.82 -26.15 68.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.694 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -69.03 -42.09 76.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.094 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 t -75.85 -20.77 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.223 0.535 . . . . 0.0 109.687 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.59 -33.86 63.27 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 171.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -86.23 -117.75 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 169.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.492 ' O ' HG12 ' A' ' 40' ' ' VAL . 65.3 m-70 -157.23 106.49 2.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.7 -143.56 7.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.639 -1.267 . . . . 0.0 112.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -164.13 175.97 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.109 0.481 . . . . 0.0 111.445 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.21 134.87 49.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.437 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' HB ' ' NH2' ' A' ' 17' ' ' ARG . 10.0 pt -130.27 151.26 35.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.771 176.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.635 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.02 84.38 6.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 169.508 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t 176.62 152.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -96.41 11.6 34.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.116 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -122.76 103.23 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.414 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m -82.92 141.45 43.88 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.518 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 43.8 Cg_endo -73.9 153.86 47.85 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.74 2.294 . . . . 0.0 110.943 175.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -95.41 148.47 34.68 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-O 121.176 0.513 . . . . 0.0 111.503 -176.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.07 113.67 1.73 Allowed 'Cis proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.097 -2.043 . . . . 0.0 113.07 -2.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 35.1 m-85 -154.29 157.68 39.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.139 174.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.19 139.55 49.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.45 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.62 89.8 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 110.151 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 23.2 t80 -83.45 88.94 6.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.129 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.61 -103.53 0.05 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.845 0.716 . . . . 0.0 113.4 174.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -137.76 157.98 45.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.595 0.712 . . . . 0.0 111.288 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.18 -157.98 0.66 Allowed 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.473 -1.24 . . . . 0.0 107.81 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.493 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.0 m -31.5 104.78 0.03 OUTLIER 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.711 0.632 . . . . 0.0 111.684 172.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.503 ' HA ' ' HD3' ' A' ' 3' ' ' ARG . 33.5 m95 57.1 169.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.085 -178.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -76.57 25.34 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.286 0.565 . . . . 0.0 110.905 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.478 ' H ' ' C ' ' A' ' 33' ' ' TRP . 15.6 mm-40 -104.03 -31.5 9.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.925 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -115.13 144.9 42.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.855 -175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.4 m -100.79 147.08 26.47 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 7.4 t -87.21 140.67 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.6 m -120.9 108.99 14.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.27 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 12' ' ' HIS . 4.9 m . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.443 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.486 ' CG ' ' HB3' ' A' ' 32' ' ' SER . 31.2 Cg_exo -26.53 -81.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 1 C-N-CA 125.38 4.054 . . . . 0.0 115.072 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.433 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.3 ptm180 -161.92 -51.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.6 0.238 . . . . 0.0 111.538 -174.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -53.98 -54.49 38.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.91 0.386 . . . . 0.0 111.101 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.479 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.9 m -61.83 -30.95 71.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.588 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -64.77 -50.43 66.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.178 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.3 t -63.92 -41.3 97.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.759 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.6 p -79.46 -7.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.501 0.667 . . . . 0.0 110.285 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -20.39 75.54 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -95.24 -125.74 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' HG12 ' A' ' 40' ' ' VAL . 78.2 m-70 -155.85 106.15 2.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.22 -134.11 3.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.983 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -164.21 173.8 11.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 111.45 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.5 m -117.35 123.72 47.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.069 -174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.2 pt -113.78 148.8 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.206 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.08 81.13 6.85 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.662 0.744 . . . . 0.0 109.845 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 m 178.92 178.0 0.47 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.3 -1.318 . . . . 0.0 107.532 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -127.17 28.91 5.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.432 0.635 . . . . 0.0 110.2 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.27 101.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.713 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.7 m -87.87 126.83 60.08 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -70.8 148.92 59.4 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.705 2.27 . . . . 0.0 111.592 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -77.7 150.68 79.18 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 121.289 0.566 . . . . 0.0 111.952 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -91.92 111.6 1.27 Allowed 'Cis proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.609 -2.246 . . . . 0.0 112.058 -6.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -157.31 158.95 36.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.71 145.72 41.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.539 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.83 88.92 1.35 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.197 0.523 . . . . 0.0 110.001 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 25.4 t80 -85.11 90.22 7.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.153 -176.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.79 -115.43 1.93 Allowed Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.235 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.7 p -137.98 151.25 47.75 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.655 0.741 . . . . 0.0 111.483 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 1.3 m -104.85 -157.6 0.62 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.105 172.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.486 ' HB3' ' CG ' ' A' ' 2' ' ' PRO . 1.8 m -29.75 104.25 0.03 OUTLIER 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.679 0.612 . . . . 0.0 112.109 171.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.472 ' C ' ' H ' ' A' ' 35' ' ' GLN . 28.7 m95 55.96 169.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.58 -176.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -73.02 14.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.685 -0.635 . . . . 0.0 111.335 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 33' ' ' TRP . 23.9 mm-40 -93.38 -47.01 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.025 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -94.23 139.13 31.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.791 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.8 m -101.82 145.63 28.91 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 29.4 t -84.28 134.73 34.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.686 0.279 . . . . 0.0 110.262 177.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -116.84 108.95 16.47 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 12' ' ' HIS . 7.9 m . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.704 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.456 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 36.4 Cg_exo -42.17 -79.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.877 3.051 . . . . 0.0 113.667 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.525 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 14.8 ptm180 -160.49 -49.1 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 1.1 m-20 -126.14 -2.68 7.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -172.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.8 m -47.26 -63.16 1.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -63.77 -25.5 68.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.873 0.368 . . . . 0.0 111.14 -175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 34.7 ttm180 -63.23 -50.06 71.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 38' ' ' CYS . 38.4 m -73.43 -41.61 63.04 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 5' ' ' THR . 13.2 t -71.53 -20.45 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.305 0.574 . . . . 0.0 109.962 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.54 -26.08 66.08 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.827 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -79.26 -106.88 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 173.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' HG12 ' A' ' 40' ' ' VAL . 83.9 m-70 -153.84 105.74 2.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.06 -143.12 9.58 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 119.89 -1.148 . . . . 0.0 112.609 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 16' ' ' ILE . 5.9 p90 -161.67 179.89 7.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.563 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.4 136.31 49.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.83 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.565 HG22 ' CE1' ' A' ' 14' ' ' TYR . 5.2 pt -131.56 149.98 33.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.731 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.598 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.98 86.02 6.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.076 0.465 . . . . 0.0 109.795 170.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 t 177.88 149.35 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.241 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -91.99 -2.09 56.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.17 0.51 . . . . 0.0 110.5 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.2 t -114.53 108.8 26.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.957 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.1 m -81.15 129.59 66.38 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.159 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 22.1 Cg_endo -63.79 148.08 92.11 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.038 2.492 . . . . 0.0 111.864 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -83.18 147.77 54.56 Favored Pre-proline 0 N--CA 1.443 -0.796 0 CA-C-O 120.969 0.414 . . . . 0.0 111.263 -179.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -92.38 114.36 1.85 Allowed 'Cis proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.552 -1.853 . . . . 0.0 112.45 -6.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 28.3 m-85 -156.45 159.71 38.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.087 177.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.82 138.36 51.56 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.523 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.59 101.74 3.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.314 0.578 . . . . 0.0 110.017 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 38' ' ' CYS . 8.5 t80 -97.12 96.06 8.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.832 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.67 -119.38 5.71 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.446 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.0 p -140.95 138.65 33.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 111.151 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.2 m -89.56 -158.03 0.49 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.937 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.456 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 2.2 m -34.23 103.53 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 123.732 0.645 . . . . 0.0 111.265 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.525 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 21.7 m95 55.78 172.87 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.525 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -78.72 26.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.48 -0.762 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 33' ' ' TRP . 17.3 mm-40 -101.66 -29.27 12.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.716 -178.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HE3' ' HG3' ' A' ' 17' ' ' ARG . 4.0 mmmm -118.73 138.29 52.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.508 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 m -100.5 146.16 27.4 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.939 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 57.2 m -85.38 134.73 34.07 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.2 m -118.35 110.32 17.35 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.79 0.328 . . . . 0.0 110.249 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 12' ' ' HIS . 4.1 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.503 ' HG ' ' OG ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.522 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 46.6 Cg_exo -39.43 -78.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.943 3.096 . . . . 0.0 114.02 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.55 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 12.2 ptm180 -161.66 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.258 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 1.2 m-20 -120.41 -2.68 10.0 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -48.53 -56.95 6.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.528 ' HA ' HG12 ' A' ' 9' ' ' VAL . 42.6 m -68.44 -24.0 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 111.335 -174.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -70.12 -41.78 73.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.998 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.41 -43.21 67.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.731 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 6' ' ' SER . 13.1 p -79.46 -9.25 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.09 -21.98 70.3 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 170.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.53 -116.92 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.412 ' C ' HG12 ' A' ' 40' ' ' VAL . 84.0 m-70 -158.0 106.85 2.04 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.12 -139.43 5.89 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.265 -0.969 . . . . 0.0 112.2 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -166.59 174.99 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.223 0.535 . . . . 0.0 111.636 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.1 m -104.5 137.08 42.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.814 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.2 pt -129.92 149.1 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.683 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.23 85.03 6.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.855 0.836 . . . . 0.0 110.302 170.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 t 179.15 162.15 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.323 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -106.13 9.42 32.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.894 0.378 . . . . 0.0 110.694 177.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.05 105.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.876 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.5 m -82.2 130.2 60.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.491 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 29.3 Cg_endo -67.19 150.73 81.9 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.818 2.345 . . . . 0.0 111.679 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -85.55 151.51 55.96 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 121.388 0.613 . . . . 0.0 112.034 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -91.11 112.47 1.62 Allowed 'Cis proline' 0 N--CA 1.451 -0.991 0 C-N-CA 121.747 -2.189 . . . . 0.0 112.08 -4.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.491 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 54.7 m-85 -156.01 155.52 32.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.676 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.35 145.4 41.85 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.98 89.71 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.266 0.555 . . . . 0.0 110.005 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.696 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.9 t80 -85.17 89.47 7.64 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.995 -177.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.93 -109.24 0.44 Allowed Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.236 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p -139.08 156.16 47.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.279 0.561 . . . . 0.0 110.99 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.62 -158.37 0.65 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 174.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.522 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.3 m -34.28 104.43 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 123.529 0.518 . . . . 0.0 111.429 172.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.55 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 31.5 m95 57.79 167.85 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.566 -177.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -76.95 26.19 0.14 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.528 -0.732 . . . . 0.0 110.639 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' A' ' 33' ' ' TRP . 19.4 mm-40 -103.19 -28.06 12.14 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.344 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.74 138.5 52.62 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.348 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.6 m -99.26 145.16 27.57 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.696 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 13.8 t -82.38 132.69 35.21 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.058 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.0 m -118.56 112.18 19.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.971 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 12' ' ' HIS . 3.8 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.83 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.519 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 69.7 Cg_exo -35.22 -81.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.273 3.315 . . . . 0.0 114.181 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.463 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 12.5 ptm180 -162.78 -51.98 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.717 0.294 . . . . 0.0 111.442 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 -10.1 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -46.99 -51.62 16.69 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' HA ' HG12 ' A' ' 9' ' ' VAL . 18.3 m -59.48 -39.37 83.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.019 0.438 . . . . 0.0 111.026 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -63.01 -42.99 99.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.32 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.1 t -68.6 -42.57 78.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.783 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.4 p -78.72 -16.81 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.897 0.38 . . . . 0.0 110.981 -174.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.45 -21.57 66.79 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 172.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -90.2 -116.9 0.07 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' O ' HG12 ' A' ' 40' ' ' VAL . 67.9 m-70 -160.34 106.52 1.53 Allowed 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.22 -138.79 5.27 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 119.94 -1.124 . . . . 0.0 112.034 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -170.25 171.44 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.179 0.514 . . . . 0.0 111.4 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.52 131.03 55.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.765 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -124.86 153.92 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.033 0.444 . . . . 0.0 110.629 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.534 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -86.13 83.3 7.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.628 0.728 . . . . 0.0 110.162 171.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.3 t 177.7 171.97 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -120.34 10.06 11.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 174.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.82 105.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.551 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.22 131.03 52.01 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.046 0.45 . . . . 0.0 111.922 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 19.4 Cg_endo -63.17 154.57 66.8 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.131 2.554 . . . . 0.0 111.428 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 3.4 mptp? -96.05 150.42 37.23 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 121.166 0.507 . . . . 0.0 111.663 -175.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -90.97 113.81 2.04 Favored 'Cis proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.053 -2.061 . . . . 0.0 112.604 -4.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 50.2 m-85 -157.41 151.52 24.67 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.59 144.74 34.18 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.106 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.19 88.87 1.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.518 . . . . 0.0 109.77 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 19.5 t80 -81.71 94.22 6.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.187 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.04 -106.86 0.2 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.995 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 p -144.09 157.08 44.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.555 0.693 . . . . 0.0 110.998 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.24 -158.13 0.64 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.668 175.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.2 m -31.97 105.1 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.859 0.724 . . . . 0.0 111.516 170.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.507 ' C ' ' H ' ' A' ' 35' ' ' GLN . 32.6 m95 56.57 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.657 -175.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.09 25.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.513 0.673 . . . . 0.0 110.698 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' A' ' 33' ' ' TRP . 16.9 mm-40 -103.82 -41.71 5.82 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.083 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -103.57 139.73 38.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 m -100.49 147.07 26.3 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 20.1 t -84.13 135.6 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.509 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -117.98 109.12 16.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.259 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 12' ' ' HIS . 5.4 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.608 -0.711 . . . . 0.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.46 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 44.1 Cg_exo -41.58 -78.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.102 3.202 . . . . 0.0 114.526 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 3' ' ' ARG . 11.9 ttt180 -161.3 -77.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.468 -175.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.404 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 1.1 m-20 -85.53 -3.14 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.066 -178.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 m -57.88 -50.36 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.163 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.4 m -61.3 -32.23 72.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 110.358 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -67.01 -49.44 65.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.372 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.61 -41.97 98.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.958 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 6' ' ' SER . 12.0 p -78.84 -12.4 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.331 0.586 . . . . 0.0 110.283 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -22.77 69.52 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 170.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.01 -120.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.439 ' O ' HG12 ' A' ' 40' ' ' VAL . 82.0 m-70 -157.47 106.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -177.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.9 -138.22 5.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.519 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -163.94 169.65 17.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.8 m -108.96 132.92 53.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.868 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 pt -124.36 151.09 29.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.413 . . . . 0.0 110.509 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.637 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -89.86 83.15 6.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.245 0.545 . . . . 0.0 109.758 170.274 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 m -176.71 152.23 0.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.61 -9.5 34.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.348 -178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.75 119.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.025 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 m -88.15 137.81 30.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.86 0.362 . . . . 0.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.516 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 34.7 Cg_endo -69.04 157.31 62.28 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.896 2.398 . . . . 0.0 111.645 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.5 148.86 45.27 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -96.01 110.62 0.7 Allowed 'Cis proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.155 -1.602 . . . . 0.0 111.107 -3.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 64.9 m-85 -156.79 157.14 34.47 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.884 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.42 142.0 46.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.135 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 89.56 0.69 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.348 0.594 . . . . 0.0 109.718 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.67 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -82.32 92.63 7.0 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.823 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.35 -105.68 0.11 Allowed Glycine 0 N--CA 1.448 -0.528 0 O-C-N 123.788 0.68 . . . . 0.0 113.27 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 p -146.06 155.05 42.52 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.98 0.895 . . . . 0.0 111.583 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 38' ' ' CYS . 1.7 m -110.72 -160.64 0.72 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.839 170.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.46 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.7 m -20.78 108.06 0.02 OUTLIER 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.689 1.243 . . . . 0.0 113.378 -176.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 39.5 m95 61.85 -116.31 0.6 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.615 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.91 25.43 4.64 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 108.958 168.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -92.83 -43.81 8.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.761 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.43 150.86 25.64 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.0 m -101.44 144.37 30.31 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.67 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 35.8 t -86.7 132.82 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.3 m -118.92 109.99 16.64 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 12' ' ' HIS . 6.0 m . . . . . 0 C--O 1.251 1.143 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.19 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.525 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 24.7 Cg_exo -26.83 -82.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 1 C-N-CA 125.374 4.049 . . . . 0.0 115.682 -177.404 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' A' ' 33' ' ' TRP . 10.5 ptm180 -161.44 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 2.1 m-20 -119.79 -7.76 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -52.64 -57.78 8.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 9' ' ' VAL . 16.8 m -59.73 -36.44 76.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.723 -178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -61.81 -50.47 72.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.563 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.7 t -65.61 -42.74 91.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.125 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 6' ' ' SER . 11.4 p -76.91 -12.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 0.0 110.661 -175.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.36 71.56 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 171.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -89.73 -120.61 0.06 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -155.73 105.98 2.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.62 -139.61 6.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -167.58 173.35 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.322 0.582 . . . . 0.0 111.919 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.8 m -100.56 137.53 38.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.957 -176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 8.7 pt -130.57 148.73 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.507 177.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.656 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.32 85.41 6.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.674 0.749 . . . . 0.0 109.801 171.676 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 16' ' ' ILE . 64.0 m -172.33 167.92 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.227 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 8.6 mmpt? -105.68 -7.72 18.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.206 0.527 . . . . 0.0 109.883 176.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -119.96 120.58 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.038 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -85.73 139.45 35.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.678 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.483 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 36.7 Cg_endo -70.08 148.45 63.05 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.704 2.27 . . . . 0.0 111.695 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -84.36 149.55 55.34 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.199 0.523 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -91.87 113.23 1.66 Allowed 'Cis proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.024 -2.073 . . . . 0.0 112.221 -5.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 46.4 m-85 -156.94 156.1 32.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.544 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.82 147.35 35.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.436 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.77 90.9 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.932 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.714 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 15.8 t80 -87.8 89.55 8.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.891 -177.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.38 -103.35 0.07 OUTLIER Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 113.332 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 p -144.15 159.93 41.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -176.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.53 -158.09 0.69 Allowed 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 4.1 m -32.02 104.51 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.565 0.541 . . . . 0.0 111.791 173.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.445 ' C ' ' H ' ' A' ' 35' ' ' GLN . 35.3 m95 56.19 172.66 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.039 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -78.36 26.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.792 -0.567 . . . . 0.0 110.941 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 33' ' ' TRP . 65.9 mm-40 -104.43 -33.58 8.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.024 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -112.39 139.89 47.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.445 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.5 m -99.96 141.97 32.06 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.714 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 12.2 t -79.74 131.34 35.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 80.4 m -117.92 111.29 18.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.099 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.683 -178.377 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.444 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 51.5 Cg_exo -39.62 -75.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.077 3.185 . . . . 0.0 114.601 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HD3' ' OD1' ' A' ' 4' ' ' ASP . 17.3 ttt-85 -160.91 -80.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.54 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.466 ' OD1' ' HD3' ' A' ' 3' ' ' ARG . 27.3 m-20 -88.73 -6.1 57.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.153 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -49.29 -48.29 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.959 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.9 m -61.8 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -176.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.98 -45.67 90.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.318 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.07 -42.26 89.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.907 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 6' ' ' SER . 11.8 p -80.1 -10.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.264 0.554 . . . . 0.0 110.619 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.73 -17.75 71.5 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.0 -117.23 0.15 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.504 ' O ' HG12 ' A' ' 40' ' ' VAL . 79.7 m-70 -158.72 106.77 1.89 Allowed 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.87 -145.41 10.23 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.832 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.412 ' CE1' HG22 ' A' ' 16' ' ' ILE . 14.8 p90 -163.02 175.02 11.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 111.8 -175.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.8 m -107.75 121.02 43.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.955 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.412 HG22 ' CE1' ' A' ' 14' ' ' TYR . 10.6 pt -112.66 147.2 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 0.0 110.626 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.694 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -85.61 84.5 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.919 0.866 . . . . 0.0 109.358 172.011 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.2 t 177.83 165.97 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.091 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -109.52 7.92 24.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.255 0.55 . . . . 0.0 109.822 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.84 115.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.057 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.4 m -88.41 135.97 32.13 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 111.902 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 38.0 Cg_endo -73.26 148.99 44.73 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.701 2.267 . . . . 0.0 111.563 173.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -83.07 150.86 62.32 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.155 0.502 . . . . 0.0 111.909 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.79 112.56 1.51 Allowed 'Cis proline' 0 N--CA 1.452 -0.97 0 C-N-CA 121.878 -2.134 . . . . 0.0 112.161 -3.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 45.8 m-85 -157.41 158.47 35.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.235 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.66 40.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.032 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.09 89.36 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.265 0.555 . . . . 0.0 110.18 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.681 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 18.0 t80 -84.81 93.88 8.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.242 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -108.26 0.39 Allowed Glycine 0 C--N 1.334 0.421 0 CA-C-N 116.097 -0.502 . . . . 0.0 113.072 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -142.55 159.51 42.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.324 0.583 . . . . 0.0 110.166 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.33 -158.75 0.66 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 173.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.444 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 1.8 m -33.03 104.77 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 123.491 0.494 . . . . 0.0 111.904 172.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.464 ' C ' ' H ' ' A' ' 35' ' ' GLN . 43.8 m95 58.57 167.94 0.05 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.792 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -76.33 26.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.332 0.587 . . . . 0.0 111.113 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 33' ' ' TRP . 63.8 mm-40 -104.36 -40.31 6.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.875 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 3.4 mmmm -103.7 138.44 40.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.376 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.4 m -97.56 144.25 27.44 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.681 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 15.8 t -81.21 131.0 35.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.49 110.57 19.47 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.142 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 12' ' ' HIS . 5.7 m . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.311 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.505 ' HB2' ' HA ' ' A' ' 32' ' ' SER . 13.4 Cg_exo -28.87 -81.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 1 C-N-CA 125.422 4.081 . . . . 0.0 115.523 179.317 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.537 ' HG2' ' CE3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -161.65 -53.99 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -176.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.404 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 67.9 m-20 -107.28 -6.32 17.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.586 -177.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -53.22 -48.54 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.449 ' HA ' HG12 ' A' ' 9' ' ' VAL . 15.6 m -62.2 -31.71 72.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.07 0.462 . . . . 0.0 111.052 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.92 -46.84 73.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.963 175.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.0 t -62.99 -41.96 99.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.608 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 6' ' ' SER . 14.2 p -81.46 -9.46 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.35 0.595 . . . . 0.0 110.325 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.71 72.48 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 169.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -91.02 -121.89 0.07 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.409 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.8 m-70 -158.42 107.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.33 -133.93 2.97 Favored Glycine 0 CA--C 1.505 -0.537 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.267 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -168.22 171.69 9.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.231 0.538 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.1 m -107.56 133.2 52.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.877 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 18' ' ' SER . 18.3 pt -123.85 146.89 28.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.173 0.511 . . . . 0.0 110.893 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -88.2 86.76 7.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.446 0.641 . . . . 0.0 109.688 167.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.428 ' HB3' HD12 ' A' ' 16' ' ' ILE . 45.6 t -178.89 173.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -112.2 -5.39 14.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.8 t -119.36 120.37 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.8 m -93.58 133.72 27.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.105 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.514 ' O ' ' HB2' ' A' ' 25' ' ' PHE . 30.2 Cg_endo -66.42 156.83 63.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 111.403 175.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 12.5 mptt -99.34 150.75 37.03 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-O 121.143 0.497 . . . . 0.0 111.599 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -90.47 113.15 1.92 Allowed 'Cis proline' 0 N--CA 1.454 -0.826 0 C-N-CA 121.94 -2.108 . . . . 0.0 112.982 -2.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 53.4 m-85 -156.11 153.81 29.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.781 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.61 145.83 39.69 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.166 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.75 88.33 1.75 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.304 0.573 . . . . 0.0 109.902 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.657 ' O ' ' HB3' ' A' ' 38' ' ' CYS . 22.5 t80 -80.65 90.68 5.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.128 -175.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.75 -108.3 0.32 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.022 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 p -140.34 157.15 46.0 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.866 0.841 . . . . 0.0 111.503 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.37 -157.2 0.61 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.036 -1.438 . . . . 0.0 107.97 174.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.505 ' HA ' ' HB2' ' A' ' 2' ' ' PRO . 3.2 m -32.09 105.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.737 0.648 . . . . 0.0 111.568 171.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.537 ' CE3' ' HG2' ' A' ' 3' ' ' ARG . 44.1 m95 56.05 175.86 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.757 -177.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -78.02 25.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.564 0.697 . . . . 0.0 110.397 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 33' ' ' TRP . 22.3 mm-40 -102.46 -41.03 6.43 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.255 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -105.94 142.52 35.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.105 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -100.51 144.89 28.97 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 28' ' ' PHE . 17.9 t -86.51 135.09 33.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.3 m -119.51 109.84 16.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.951 0.405 . . . . 0.0 110.12 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 12' ' ' HIS . 9.9 m . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.054 -179.664 . . . . . . . . 1 1 . 1 stop_ save_