data_1wo3_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1wo3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 1.0 111.094 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.8 p -59.46 -36.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -60.3 -32.58 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.71 27.8 9.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.2 t -58.19 143.5 43.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.28 -27.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.7 161.66 75.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.12 67.07 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? 62.94 122.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.6 m -120.68 -59.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 100.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.206 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.08 21.16 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.11 35.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.45 59.15 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -135.83 97.91 3.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 111.005 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -57.71 -41.56 79.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.174 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.52 66.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.85 -22.95 62.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.728 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -90.07 -63.95 1.21 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.126 -0.488 . . . . 0.02 111.456 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 ttp -49.66 -23.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -52.07 -23.68 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -127.32 -35.7 2.17 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.255 0.55 . . . . 0.02 110.973 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.586 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.7 m -82.96 -175.55 5.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.196 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.29 65.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.903 0.382 . . . . 1.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.452 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.8 p -59.95 -30.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m -60.51 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.08 28.26 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.1 t -71.39 146.86 48.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.84 -22.53 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.084 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.21 138.15 97.26 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.945 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.95 133.83 11.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.543 2.162 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.78 30.95 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -51.4 56.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.71 116.95 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.26 -28.0 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.38 58.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.03 97.64 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.16 -44.68 3.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.386 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -50.32 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.82 -22.51 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.43 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.02 111.458 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttt -50.02 -23.34 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.6 t -52.94 -23.74 7.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.87 -34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.497 . . . . 0.02 110.98 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.7 m -84.04 79.68 9.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.275 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.52 36.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tttm . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.798 0.333 . . . . 1.0 111.043 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.447 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.8 p -59.57 -30.29 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -61.46 -33.05 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.94 28.41 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.4 t -72.33 146.66 46.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -22.46 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.41 138.04 97.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.957 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.82 133.89 11.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.166 . . . . 0.0 112.398 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 57.75 30.88 19.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.02 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 114.88 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.04 -28.16 17.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.36 35.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.29 58.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -136.1 97.73 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.47 0.653 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.27 -44.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.281 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.18 68.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.03 -22.37 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.38 -63.25 1.32 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.157 -0.474 . . . . 0.02 111.519 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -23.41 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -53.04 -23.66 8.09 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.79 -34.95 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.217 0.532 . . . . 0.02 111.042 -179.763 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.587 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.5 m -84.14 95.97 8.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.263 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.37 36.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.257 -0.877 . . . . 1.0 110.893 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.846 0.355 . . . . 1.0 111.071 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.449 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.7 p -59.68 -30.25 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -62.05 -31.82 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.17 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.1 t -72.1 147.02 47.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.811 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.95 -22.66 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.25 138.6 97.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.99 133.88 11.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.587 2.191 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 57.29 30.88 19.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.08 -50.77 62.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.69 115.82 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.1 -28.08 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.33 58.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.04 97.67 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.461 0.648 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.31 -44.91 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.368 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -50.32 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -22.39 64.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.36 -63.48 1.28 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.128 -0.487 . . . . 0.02 111.449 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.85 -23.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -53.0 -23.71 7.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.68 -34.93 2.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.29 0.567 . . . . 0.02 111.078 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.586 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.4 m -84.14 87.25 7.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.228 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.89 36.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.15 -0.928 . . . . 1.0 110.856 -179.905 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.785 0.326 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.451 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.7 p -59.82 -30.5 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -61.7 -32.64 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.06 28.09 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 28.3 t -71.81 146.28 48.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.21 -22.47 12.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.36 137.92 97.21 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.84 133.8 11.57 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.634 2.223 . . . . 0.0 112.3 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.5 30.96 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -51.38 57.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.47 117.6 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.98 -28.17 15.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.66 58.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -136.36 97.69 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.14 -44.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.377 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.33 -50.49 67.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.73 -22.41 63.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.55 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.18 -0.463 . . . . 0.02 111.473 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 ttt -49.88 -23.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -52.88 -23.8 7.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.81 -34.85 2.35 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.198 0.523 . . . . 0.02 110.986 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.7 m -84.06 57.63 4.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.257 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.89 36.62 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.932 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.875 0.369 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p -59.09 -29.46 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -59.4 -31.27 69.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.05 26.88 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 24.8 t -70.33 147.28 49.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -23.01 11.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.04 138.23 97.27 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.98 133.87 11.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.576 2.184 . . . . 0.0 112.366 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.68 31.0 19.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -51.17 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.57 117.14 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.83 -27.91 15.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.28 35.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.04 58.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -136.12 97.68 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.15 -45.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.381 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.22 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -22.52 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.32 -63.32 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.13 -0.486 . . . . 0.02 111.48 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ttt -50.06 -23.33 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -52.99 -23.63 7.75 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.88 -34.87 2.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.204 0.526 . . . . 0.02 111.054 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.586 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.7 m -84.09 93.52 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.21 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.14 33.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.796 0.331 . . . . 1.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.85 -29.89 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -63.89 -31.5 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.55 28.66 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 22.9 t -73.99 147.32 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.59 -22.58 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.17 138.82 97.53 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.18 134.39 11.51 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.578 2.186 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.51 30.56 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -49.99 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.42 114.25 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.68 -28.46 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.57 35.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.79 58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -135.6 97.45 3.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.528 0.68 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -45.55 5.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.382 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.27 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.88 -22.35 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.5 -63.59 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.02 111.526 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.51 -23.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -53.46 -23.46 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.76 2.39 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.02 111.024 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.586 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 6.8 m -84.45 -175.51 5.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.227 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.06 65.21 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.858 0.361 . . . . 1.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.438 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.7 p -58.98 -30.37 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -60.39 -35.08 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.48 27.74 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 30.1 t -73.83 146.52 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.26 -22.56 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.019 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.38 139.49 97.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.39 133.87 10.95 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.581 2.187 . . . . 0.0 112.41 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 56.57 31.1 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -50.0 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.74 106.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.96 -28.6 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.229 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.61 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.04 58.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -136.5 97.95 3.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.48 0.657 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.17 -45.01 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.334 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.98 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -22.42 64.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.748 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.17 -63.41 1.3 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.477 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ttt -49.81 -23.52 1.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 t -53.21 -23.63 9.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.77 -34.77 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.02 111.096 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.585 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.1 m -84.42 115.15 22.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.24 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.1 32.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.297 -0.858 . . . . 1.0 110.835 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.805 0.336 . . . . 1.0 111.032 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.67 -29.57 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -31.44 69.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.33 26.97 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 24.6 t -71.51 147.35 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.76 -23.05 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.15 138.29 97.3 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.81 133.79 11.59 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.611 2.207 . . . . 0.0 112.376 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.49 31.05 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.59 -50.37 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.38 113.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.49 -28.47 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.58 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.45 58.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.28 97.74 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.21 -45.23 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.329 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.13 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.97 -22.47 64.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.732 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.34 -63.37 1.3 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.02 111.498 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttt -49.89 -23.44 1.94 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -53.14 -23.64 8.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.8 -34.82 2.36 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.201 0.524 . . . . 0.02 111.003 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.586 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.2 m -84.34 101.14 11.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.191 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.39 37.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.252 -0.88 . . . . 1.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.806 0.336 . . . . 1.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -58.75 -29.68 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -31.37 72.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.31 27.54 9.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 21.0 t -73.81 147.86 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.62 -23.11 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.04 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.04 138.65 97.47 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.04 134.41 11.68 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.6 30.58 19.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -49.48 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.15 113.94 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.01 -28.66 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.67 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.48 58.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -135.68 97.5 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.449 0.643 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.91 -45.69 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.324 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.19 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -22.32 64.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.54 -63.59 1.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.157 -0.474 . . . . 0.02 111.46 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -49.55 -23.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -53.43 -23.5 10.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.68 2.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.147 0.499 . . . . 0.02 110.99 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.585 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 6.6 m -84.51 79.6 9.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.94 31.28 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.765 0.317 . . . . 1.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.89 -29.56 40.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -59.79 -31.17 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.45 27.13 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 22.2 t -70.2 147.66 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.04 -23.12 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.17 138.19 97.27 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.91 134.04 11.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 57.66 30.85 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -50.95 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 116.33 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.61 -28.1 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.92 58.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.79 97.58 3.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.531 0.681 . . . . 0.0 111.054 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.26 -45.45 3.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.314 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.01 68.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.82 -22.59 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.768 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.33 -63.53 1.28 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.076 -0.511 . . . . 0.02 111.37 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.87 -23.43 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -53.04 -23.69 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.79 -34.92 2.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.241 0.543 . . . . 0.02 111.031 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.584 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.4 m -83.96 95.8 8.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.169 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.85 62.9 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.282 -0.866 . . . . 1.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.78 0.324 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.455 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 13.8 p -59.89 -32.03 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -60.45 -31.06 70.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.67 15.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.307 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.9 t -74.43 135.47 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.8 -22.72 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.254 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.41 130.5 89.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.013 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.98 137.21 17.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.534 2.156 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 57.91 29.05 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.02 -49.61 71.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 149.86 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.63 -25.32 10.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.37 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.97 58.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.3 98.48 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.552 0.692 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.01 -40.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.446 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.78 -50.78 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.32 -22.68 63.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.59 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.177 -0.465 . . . . 0.02 111.392 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -23.53 2.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -52.83 -23.98 8.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.78 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.02 111.013 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.7 m -84.42 107.04 16.46 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.214 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.52 31.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.85 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.798 0.332 . . . . 1.0 111.066 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.448 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 12.0 p -59.3 -29.76 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -31.02 72.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.47 20.7 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.1 t -77.08 137.46 38.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.56 -22.58 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.184 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.0 133.39 88.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.018 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.0 135.28 13.82 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.588 2.192 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttm 57.89 29.51 17.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.0 -46.63 83.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.8 150.42 37.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.72 -26.12 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.222 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.58 35.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.71 58.03 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -139.27 99.32 3.72 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.525 0.678 . . . . 0.0 110.994 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.14 -39.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.371 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.94 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -22.49 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.59 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.67 -63.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.02 111.386 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.2 ttt -49.55 -23.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -52.83 -23.96 8.04 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.3 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.241 0.543 . . . . 0.02 111.019 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.59 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.4 m -84.96 111.07 19.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.209 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.04 32.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttm . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.304 -0.855 . . . . 1.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.788 0.328 . . . . 1.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.452 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 12.6 p -59.87 -30.65 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -63.09 -31.42 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.44 21.88 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.282 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 44.7 t -73.75 135.98 43.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.71 -23.2 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.37 130.46 89.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.95 137.38 17.47 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.99 29.11 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.14 -50.18 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.26 148.26 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.77 -25.02 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.86 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.69 58.54 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -138.14 98.74 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -43.9 -40.03 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.432 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.6 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.39 -22.7 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -89.49 -63.37 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.02 111.434 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -23.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -52.84 -23.99 8.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.69 2.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.203 0.525 . . . . 0.02 110.922 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.8 m -84.48 99.03 10.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.72 34.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 1.0 110.898 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.801 0.334 . . . . 1.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.405 ' CA ' ' CD2' ' A' ' 19' ' ' HIS . 12.2 p -57.65 -30.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -60.54 -30.58 69.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.62 21.79 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.346 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 44.5 t -73.32 135.67 44.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.764 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.54 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.39 130.23 89.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.999 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.84 137.49 17.8 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.517 2.145 . . . . 0.0 112.231 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.85 29.14 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.38 -48.24 76.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.33 144.29 57.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.84 -25.03 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.253 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.29 35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.7 58.29 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -136.57 98.22 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.453 0.644 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -43.69 -41.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.405 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.95 -50.1 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.88 -22.47 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.778 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.47 -63.28 1.31 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.203 -0.453 . . . . 0.02 111.435 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -23.4 2.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -53.02 -23.84 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.73 -34.64 2.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.237 0.542 . . . . 0.02 110.937 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.6 m -84.53 120.02 25.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.234 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.71 36.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.187 -0.911 . . . . 1.0 110.897 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.8 0.333 . . . . 1.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.433 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 12.3 p -57.4 -29.77 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -60.08 -31.04 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.43 22.27 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.313 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.3 t -74.0 136.44 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.04 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.22 131.53 88.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.017 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.33 136.73 16.18 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.54 2.16 . . . . 0.0 112.278 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 57.77 29.4 17.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.23 -46.04 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 140.36 58.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.3 -24.95 14.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.72 35.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.37 58.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -136.7 98.37 3.77 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.46 0.647 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -43.12 -41.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.452 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -49.62 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.03 -22.66 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.683 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.32 -63.36 1.3 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.191 -0.458 . . . . 0.02 111.436 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -50.07 -23.51 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -53.0 -23.85 8.22 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.62 -34.67 2.41 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.02 111.004 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.8 m -84.5 121.3 27.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.274 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.79 36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.1 tttm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.166 -0.921 . . . . 1.0 110.999 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.769 0.319 . . . . 1.0 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.448 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 12.9 p -58.3 -29.8 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 m -61.47 -32.79 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.93 20.27 19.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.3 t -76.04 137.97 40.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.49 -22.84 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -69.89 133.62 88.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.04 135.24 13.73 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.554 2.169 . . . . 0.0 112.339 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.86 29.57 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.14 -45.89 86.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 150.07 39.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.61 -26.17 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.73 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.49 58.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -139.22 99.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.13 -39.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.408 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.91 -50.49 70.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.37 -22.72 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.53 -63.45 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.066 -0.515 . . . . 0.02 111.419 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.8 ttt -49.87 -23.72 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -52.67 -24.16 8.01 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.53 -34.35 2.46 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.185 0.516 . . . . 0.02 110.987 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.7 m -84.86 118.3 24.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.191 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.73 36.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.296 -0.859 . . . . 1.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.825 0.345 . . . . 1.0 111.027 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.442 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.9 p -59.21 -30.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -60.58 -32.95 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.28 27.34 9.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 37.3 t -76.22 143.4 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.13 -22.05 13.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.52 138.45 97.45 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.65 132.61 11.05 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 56.84 28.75 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.8 -46.85 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.2 106.61 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.32 -29.46 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.96 35.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.83 58.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -138.02 98.74 3.71 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.506 0.669 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.42 -44.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.43 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -49.69 72.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.763 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.58 -22.26 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -89.56 -63.31 1.3 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.02 111.493 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.0 ttm -49.74 -23.7 1.94 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -53.93 -23.47 13.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -126.47 -34.14 2.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.147 0.498 . . . . 0.02 111.04 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.587 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 6.0 m -85.47 102.51 13.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.179 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.16 59.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.238 -0.886 . . . . 1.0 110.871 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.81 0.338 . . . . 1.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.51 -29.3 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -31.55 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.16 26.8 9.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 15.8 t -68.72 138.19 54.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.69 -27.24 18.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -68.3 150.98 97.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.6 124.14 9.57 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.535 2.157 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.05 -76.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.43 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.15 136.25 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.98 23.44 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.311 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.31 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.5 60.53 3.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.331 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -129.57 94.94 3.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.501 0.667 . . . . 0.0 110.971 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.03 -42.05 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.295 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -51.35 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.96 -22.5 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.759 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.62 -63.85 1.23 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.079 -0.51 . . . . 0.02 111.481 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -49.4 -23.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 t -52.48 -23.83 6.9 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.93 -35.26 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.263 0.554 . . . . 0.02 111.034 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.594 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.8 m -83.67 -175.6 5.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.165 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.64 65.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.874 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.79 0.329 . . . . 1.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.448 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 14.3 p -60.31 -30.35 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.52 -39.93 92.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.36 25.77 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 15.0 t -65.66 138.79 58.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.68 -27.66 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.73 151.11 97.46 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.23 124.25 9.83 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.182 . . . . 0.0 112.246 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm 64.9 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.38 -75.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.09 140.76 33.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.28 23.19 9.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.26 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.344 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.51 60.47 3.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.74 95.9 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.08 -40.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.227 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.74 -51.24 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.7 -22.76 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.593 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.64 -63.97 1.21 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.172 -0.467 . . . . 0.02 111.404 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -23.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -52.42 -23.77 6.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.97 -35.31 2.28 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.235 0.54 . . . . 0.02 111.034 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.593 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.5 m -83.38 101.78 11.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.249 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.71 32.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.951 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 1.0 111.094 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.8 p -59.46 -36.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -60.3 -32.58 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.71 27.8 9.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.2 t -58.19 143.5 43.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.28 -27.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.7 161.66 75.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.12 67.07 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? 62.94 122.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.6 m -120.68 -59.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 100.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.206 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.08 21.16 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.11 35.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.45 59.15 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -135.83 97.91 3.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 111.005 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -57.71 -41.56 79.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.174 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.52 66.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.85 -22.95 62.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.728 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -90.07 -63.95 1.21 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.126 -0.488 . . . . 0.02 111.456 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 ttp -49.66 -23.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -52.07 -23.68 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -127.32 -35.7 2.17 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.255 0.55 . . . . 0.02 110.973 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.586 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.7 m -82.96 -175.55 5.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.196 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.29 65.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.903 0.382 . . . . 1.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.452 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.8 p -59.95 -30.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m -60.51 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.08 28.26 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.1 t -71.39 146.86 48.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.84 -22.53 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.084 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.21 138.15 97.26 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.945 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.95 133.83 11.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.543 2.162 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.78 30.95 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -51.4 56.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.71 116.95 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.26 -28.0 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.38 58.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.03 97.64 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.16 -44.68 3.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.386 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -50.32 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.82 -22.51 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.43 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.02 111.458 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttt -50.02 -23.34 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.6 t -52.94 -23.74 7.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.87 -34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.497 . . . . 0.02 110.98 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.7 m -84.04 79.68 9.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.275 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.52 36.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tttm . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.798 0.333 . . . . 1.0 111.043 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.447 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.8 p -59.57 -30.29 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -61.46 -33.05 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.94 28.41 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.4 t -72.33 146.66 46.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -22.46 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.41 138.04 97.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.957 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.82 133.89 11.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.166 . . . . 0.0 112.398 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 57.75 30.88 19.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.02 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 114.88 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.04 -28.16 17.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.36 35.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.29 58.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -136.1 97.73 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.47 0.653 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.27 -44.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.281 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.18 68.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.03 -22.37 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.38 -63.25 1.32 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.157 -0.474 . . . . 0.02 111.519 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -23.41 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -53.04 -23.66 8.09 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.79 -34.95 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.217 0.532 . . . . 0.02 111.042 -179.763 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.587 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.5 m -84.14 95.97 8.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.263 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.37 36.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.257 -0.877 . . . . 1.0 110.893 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.846 0.355 . . . . 1.0 111.071 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.449 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.7 p -59.68 -30.25 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -62.05 -31.82 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.17 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.1 t -72.1 147.02 47.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.811 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.95 -22.66 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.25 138.6 97.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.99 133.88 11.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.587 2.191 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 57.29 30.88 19.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.08 -50.77 62.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.69 115.82 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.1 -28.08 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.33 58.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.04 97.67 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.461 0.648 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.31 -44.91 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.368 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -50.32 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -22.39 64.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.36 -63.48 1.28 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.128 -0.487 . . . . 0.02 111.449 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.85 -23.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -53.0 -23.71 7.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.68 -34.93 2.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.29 0.567 . . . . 0.02 111.078 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.586 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.4 m -84.14 87.25 7.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.228 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.89 36.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.15 -0.928 . . . . 1.0 110.856 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.785 0.326 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.451 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.7 p -59.82 -30.5 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -61.7 -32.64 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.06 28.09 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 28.3 t -71.81 146.28 48.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.21 -22.47 12.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.36 137.92 97.21 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.84 133.8 11.57 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.634 2.223 . . . . 0.0 112.3 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.5 30.96 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -51.38 57.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.47 117.6 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.98 -28.17 15.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.66 58.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -136.36 97.69 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.14 -44.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.377 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.33 -50.49 67.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.73 -22.41 63.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.55 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.18 -0.463 . . . . 0.02 111.473 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 ttt -49.88 -23.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -52.88 -23.8 7.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.81 -34.85 2.35 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.198 0.523 . . . . 0.02 110.986 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.7 m -84.06 57.63 4.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.257 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.89 36.62 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.932 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.875 0.369 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p -59.09 -29.46 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -59.4 -31.27 69.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.05 26.88 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 24.8 t -70.33 147.28 49.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -23.01 11.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.04 138.23 97.27 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.98 133.87 11.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.576 2.184 . . . . 0.0 112.366 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.68 31.0 19.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -51.17 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.57 117.14 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.83 -27.91 15.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.28 35.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.04 58.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -136.12 97.68 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.15 -45.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.381 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.22 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -22.52 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.32 -63.32 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.13 -0.486 . . . . 0.02 111.48 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ttt -50.06 -23.33 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -52.99 -23.63 7.75 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.88 -34.87 2.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.204 0.526 . . . . 0.02 111.054 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.586 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.7 m -84.09 93.52 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.21 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.14 33.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.796 0.331 . . . . 1.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.85 -29.89 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -63.89 -31.5 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.55 28.66 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 22.9 t -73.99 147.32 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.59 -22.58 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.17 138.82 97.53 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.18 134.39 11.51 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.578 2.186 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.51 30.56 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -49.99 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.42 114.25 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.68 -28.46 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.57 35.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.79 58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -135.6 97.45 3.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.528 0.68 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -45.55 5.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.382 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.27 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.88 -22.35 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.5 -63.59 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.02 111.526 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.51 -23.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -53.46 -23.46 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.76 2.39 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.02 111.024 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.586 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 6.8 m -84.45 -175.51 5.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.227 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.06 65.21 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.858 0.361 . . . . 1.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.438 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.7 p -58.98 -30.37 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -60.39 -35.08 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.48 27.74 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 30.1 t -73.83 146.52 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.26 -22.56 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.019 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.38 139.49 97.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.39 133.87 10.95 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.581 2.187 . . . . 0.0 112.41 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 56.57 31.1 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -50.0 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.74 106.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.96 -28.6 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.229 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.61 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.04 58.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -136.5 97.95 3.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.48 0.657 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.17 -45.01 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.334 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.98 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -22.42 64.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.748 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.17 -63.41 1.3 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.477 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ttt -49.81 -23.52 1.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 t -53.21 -23.63 9.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.77 -34.77 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.02 111.096 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.585 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.1 m -84.42 115.15 22.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.24 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.1 32.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.297 -0.858 . . . . 1.0 110.835 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.805 0.336 . . . . 1.0 111.032 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.67 -29.57 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -31.44 69.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.33 26.97 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 24.6 t -71.51 147.35 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.76 -23.05 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.15 138.29 97.3 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.81 133.79 11.59 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.611 2.207 . . . . 0.0 112.376 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.49 31.05 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.59 -50.37 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.38 113.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.49 -28.47 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.58 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.45 58.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.28 97.74 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.21 -45.23 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.329 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.13 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.97 -22.47 64.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.732 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.34 -63.37 1.3 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.02 111.498 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttt -49.89 -23.44 1.94 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -53.14 -23.64 8.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.8 -34.82 2.36 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.201 0.524 . . . . 0.02 111.003 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.586 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.2 m -84.34 101.14 11.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.191 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.39 37.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.252 -0.88 . . . . 1.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.806 0.336 . . . . 1.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -58.75 -29.68 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -31.37 72.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.31 27.54 9.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 21.0 t -73.81 147.86 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.62 -23.11 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.04 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.04 138.65 97.47 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.04 134.41 11.68 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.6 30.58 19.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -49.48 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.15 113.94 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.01 -28.66 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.67 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.48 58.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -135.68 97.5 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.449 0.643 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.91 -45.69 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.324 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.19 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -22.32 64.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.54 -63.59 1.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.157 -0.474 . . . . 0.02 111.46 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -49.55 -23.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -53.43 -23.5 10.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.68 2.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.147 0.499 . . . . 0.02 110.99 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.585 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 6.6 m -84.51 79.6 9.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.94 31.28 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.765 0.317 . . . . 1.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.89 -29.56 40.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -59.79 -31.17 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.45 27.13 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 22.2 t -70.2 147.66 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.04 -23.12 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.17 138.19 97.27 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.91 134.04 11.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 57.66 30.85 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -50.95 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 116.33 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.61 -28.1 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.92 58.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.79 97.58 3.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.531 0.681 . . . . 0.0 111.054 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.26 -45.45 3.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.314 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.01 68.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.82 -22.59 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.768 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.33 -63.53 1.28 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.076 -0.511 . . . . 0.02 111.37 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.87 -23.43 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -53.04 -23.69 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.79 -34.92 2.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.241 0.543 . . . . 0.02 111.031 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.4 m -83.96 95.8 8.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.169 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.85 62.9 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.282 -0.866 . . . . 1.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.78 0.324 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.455 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 13.8 p -59.89 -32.03 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -60.45 -31.06 70.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.67 15.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.307 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.9 t -74.43 135.47 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.8 -22.72 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.254 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.41 130.5 89.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.013 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.98 137.21 17.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.534 2.156 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 57.91 29.05 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.02 -49.61 71.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 149.86 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.63 -25.32 10.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.37 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.97 58.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.3 98.48 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.552 0.692 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.01 -40.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.446 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.78 -50.78 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.32 -22.68 63.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.59 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.177 -0.465 . . . . 0.02 111.392 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -23.53 2.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -52.83 -23.98 8.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.78 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.02 111.013 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.7 m -84.42 107.04 16.46 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.214 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.52 31.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.85 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.798 0.332 . . . . 1.0 111.066 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.448 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 12.0 p -59.3 -29.76 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -31.02 72.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.47 20.7 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.1 t -77.08 137.46 38.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.56 -22.58 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.184 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.0 133.39 88.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.018 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.0 135.28 13.82 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.588 2.192 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttm 57.89 29.51 17.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.0 -46.63 83.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.8 150.42 37.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.72 -26.12 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.222 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.58 35.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.71 58.03 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -139.27 99.32 3.72 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.525 0.678 . . . . 0.0 110.994 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.14 -39.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.371 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.94 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -22.49 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.59 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.67 -63.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.02 111.386 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.2 ttt -49.55 -23.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -52.83 -23.96 8.04 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.3 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.241 0.543 . . . . 0.02 111.019 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.59 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.4 m -84.96 111.07 19.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.209 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.04 32.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttm . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.304 -0.855 . . . . 1.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.788 0.328 . . . . 1.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.452 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 12.6 p -59.87 -30.65 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -63.09 -31.42 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.44 21.88 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.282 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 44.7 t -73.75 135.98 43.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.71 -23.2 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.37 130.46 89.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.95 137.38 17.47 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.99 29.11 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.14 -50.18 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.26 148.26 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.77 -25.02 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.86 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.69 58.54 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -138.14 98.74 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -43.9 -40.03 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.432 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.6 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.39 -22.7 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -89.49 -63.37 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.02 111.434 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -23.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -52.84 -23.99 8.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.69 2.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.203 0.525 . . . . 0.02 110.922 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.8 m -84.48 99.03 10.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.72 34.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 1.0 110.898 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.801 0.334 . . . . 1.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.405 ' CA ' ' CD2' ' A' ' 19' ' ' HIS . 12.2 p -57.65 -30.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -60.54 -30.58 69.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.62 21.79 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.346 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 44.5 t -73.32 135.67 44.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.764 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.54 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.39 130.23 89.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.999 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.84 137.49 17.8 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.517 2.145 . . . . 0.0 112.231 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.85 29.14 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.38 -48.24 76.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.33 144.29 57.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.84 -25.03 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.253 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.29 35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.7 58.29 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -136.57 98.22 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.453 0.644 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -43.69 -41.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.405 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.95 -50.1 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.88 -22.47 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.778 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.47 -63.28 1.31 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.203 -0.453 . . . . 0.02 111.435 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -23.4 2.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -53.02 -23.84 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.73 -34.64 2.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.237 0.542 . . . . 0.02 110.937 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.6 m -84.53 120.02 25.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.234 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.71 36.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.187 -0.911 . . . . 1.0 110.897 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.8 0.333 . . . . 1.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.433 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 12.3 p -57.4 -29.77 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -60.08 -31.04 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.43 22.27 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.313 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.3 t -74.0 136.44 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.04 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.22 131.53 88.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.017 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.33 136.73 16.18 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.54 2.16 . . . . 0.0 112.278 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 57.77 29.4 17.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.23 -46.04 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 140.36 58.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.3 -24.95 14.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.72 35.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.37 58.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -136.7 98.37 3.77 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.46 0.647 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -43.12 -41.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.452 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -49.62 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.03 -22.66 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.683 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.32 -63.36 1.3 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.191 -0.458 . . . . 0.02 111.436 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -50.07 -23.51 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -53.0 -23.85 8.22 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.62 -34.67 2.41 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.02 111.004 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.8 m -84.5 121.3 27.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.274 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.79 36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.1 tttm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.166 -0.921 . . . . 1.0 110.999 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.769 0.319 . . . . 1.0 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.448 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 12.9 p -58.3 -29.8 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 m -61.47 -32.79 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.93 20.27 19.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.3 t -76.04 137.97 40.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.49 -22.84 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -69.89 133.62 88.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.04 135.24 13.73 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.554 2.169 . . . . 0.0 112.339 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.86 29.57 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.14 -45.89 86.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 150.07 39.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.61 -26.17 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.73 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.49 58.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -139.22 99.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.13 -39.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.408 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.91 -50.49 70.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.37 -22.72 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.53 -63.45 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.066 -0.515 . . . . 0.02 111.419 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.8 ttt -49.87 -23.72 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -52.67 -24.16 8.01 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.53 -34.35 2.46 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.185 0.516 . . . . 0.02 110.987 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.7 m -84.86 118.3 24.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.191 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.73 36.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.296 -0.859 . . . . 1.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.825 0.345 . . . . 1.0 111.027 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.442 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 11.9 p -59.21 -30.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -60.58 -32.95 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.28 27.34 9.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 37.3 t -76.22 143.4 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.13 -22.05 13.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.52 138.45 97.45 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.65 132.61 11.05 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 56.84 28.75 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.8 -46.85 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.2 106.61 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.32 -29.46 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.96 35.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.83 58.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -138.02 98.74 3.71 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.506 0.669 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.42 -44.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.43 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -49.69 72.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.763 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.58 -22.26 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -89.56 -63.31 1.3 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.02 111.493 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.0 ttm -49.74 -23.7 1.94 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -53.93 -23.47 13.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -126.47 -34.14 2.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.147 0.498 . . . . 0.02 111.04 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.587 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 6.0 m -85.47 102.51 13.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.179 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.16 59.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.238 -0.886 . . . . 1.0 110.871 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.81 0.338 . . . . 1.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.51 -29.3 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -31.55 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.16 26.8 9.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 15.8 t -68.72 138.19 54.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.69 -27.24 18.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -68.3 150.98 97.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.6 124.14 9.57 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.535 2.157 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.05 -76.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.43 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.15 136.25 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.98 23.44 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.311 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.31 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.5 60.53 3.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.331 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -129.57 94.94 3.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.501 0.667 . . . . 0.0 110.971 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.03 -42.05 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.295 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -51.35 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.96 -22.5 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.759 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.62 -63.85 1.23 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.079 -0.51 . . . . 0.02 111.481 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -49.4 -23.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 t -52.48 -23.83 6.9 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.93 -35.26 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.263 0.554 . . . . 0.02 111.034 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.594 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 7.8 m -83.67 -175.6 5.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.165 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.64 65.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.874 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.79 0.329 . . . . 1.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.448 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 14.3 p -60.31 -30.35 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.52 -39.93 92.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.36 25.77 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 15.0 t -65.66 138.79 58.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.68 -27.66 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.73 151.11 97.46 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.23 124.25 9.83 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.182 . . . . 0.0 112.246 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm 64.9 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.38 -75.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.09 140.76 33.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.28 23.19 9.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.26 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.344 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.51 60.47 3.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.74 95.9 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.08 -40.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.227 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.74 -51.24 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.7 -22.76 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.593 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.64 -63.97 1.21 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.172 -0.467 . . . . 0.02 111.404 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -23.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -52.42 -23.77 6.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.97 -35.31 2.28 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.235 0.54 . . . . 0.02 111.034 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.593 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 8.5 m -83.38 101.78 11.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.249 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.71 32.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.951 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 11' ' ' ALA . 13.8 p -59.46 -36.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -60.3 -32.58 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.71 27.8 9.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.19 143.5 43.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.28 -27.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.668 HD12 ' SG ' ' A' ' 23' ' ' CYS . 18.8 mt -70.7 161.66 75.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.12 67.07 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? 62.94 122.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.6 m -120.68 -59.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.554 ' CB ' HG21 ' A' ' 2' ' ' VAL . . . -56.49 100.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.206 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.08 21.16 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.11 35.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.45 59.15 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -135.83 97.91 3.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 111.005 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 2' ' ' VAL . 2.2 t -57.71 -41.56 79.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.174 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.52 66.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.582 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.85 -22.95 62.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.728 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.1 t-80 -90.07 -63.95 1.21 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.456 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 ttp -49.66 -23.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.1 t -52.07 -23.68 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -127.32 -35.7 2.17 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.255 0.55 . . . . 0.0 110.973 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.668 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -82.96 -175.55 5.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.196 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.29 65.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.467 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 16' ' ' VAL . 11.8 p -59.95 -30.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m -60.51 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.08 28.26 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.1 t -71.39 146.86 48.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.84 -22.53 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.084 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.841 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.21 138.15 97.26 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.945 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.95 133.83 11.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.543 2.162 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.78 30.95 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -51.4 56.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.71 116.95 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.26 -28.0 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.38 58.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.03 97.64 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.742 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.16 -44.68 3.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.386 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -50.32 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.82 -22.51 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.43 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.458 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttt -50.02 -23.34 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.6 t -52.94 -23.74 7.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.87 -34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.497 . . . . 0.0 110.98 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.841 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.04 79.68 9.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.275 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.52 36.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tttm . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.495 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.798 0.333 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.681 HG12 HG22 ' A' ' 16' ' ' VAL . 11.8 p -59.57 -30.29 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -61.46 -33.05 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.94 28.41 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.4 t -72.33 146.66 46.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -22.46 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.842 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.41 138.04 97.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.82 133.89 11.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.166 . . . . 0.0 112.398 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 57.75 30.88 19.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.02 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 114.88 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.04 -28.16 17.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.36 35.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.29 58.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -136.1 97.73 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.47 0.653 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.681 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.27 -44.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.281 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.18 68.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.03 -22.37 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.573 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.38 -63.25 1.32 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.519 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -23.41 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -53.04 -23.66 8.09 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.79 -34.95 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.217 0.532 . . . . 0.0 111.042 -179.763 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.842 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.5 m -84.14 95.97 8.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.263 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.37 36.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.257 -0.877 . . . . 1.0 110.893 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.493 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -59.68 -30.25 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -62.05 -31.82 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.17 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.1 t -72.1 147.02 47.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.95 -22.66 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.841 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.0 mt -63.25 138.6 97.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.99 133.88 11.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.587 2.191 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 57.29 30.88 19.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.08 -50.77 62.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.69 115.82 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.1 -28.08 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.33 58.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -136.04 97.67 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.461 0.648 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.729 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.31 -44.91 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.368 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -50.32 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.8 -22.39 64.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.36 -63.48 1.28 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.449 179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.85 -23.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.0 -23.71 7.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.68 -34.93 2.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.29 0.567 . . . . 0.0 111.078 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.841 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.4 m -84.14 87.25 7.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.228 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.89 36.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.15 -0.928 . . . . 1.0 110.856 -179.905 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.491 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.785 0.326 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -59.82 -30.5 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -61.7 -32.64 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.06 28.09 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 28.3 t -71.81 146.28 48.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.21 -22.47 12.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.842 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.9 mt -63.36 137.92 97.21 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.84 133.8 11.57 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.634 2.223 . . . . 0.0 112.3 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.5 30.96 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -51.38 57.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.47 117.6 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.98 -28.17 15.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.66 58.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.464 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 8.9 t-20 -136.36 97.69 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.726 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.14 -44.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.377 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -54.33 -50.49 67.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.73 -22.41 63.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.55 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.473 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 ttt -49.88 -23.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -52.88 -23.8 7.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.81 -34.85 2.35 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.198 0.523 . . . . 0.0 110.986 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.842 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.06 57.63 4.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.257 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.89 36.62 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.932 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.691 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -59.09 -29.46 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -59.4 -31.27 69.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.05 26.88 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.8 t -70.33 147.28 49.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -23.01 11.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.844 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.7 mt -63.04 138.23 97.27 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.98 133.87 11.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.576 2.184 . . . . 0.0 112.366 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.68 31.0 19.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -51.17 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.57 117.14 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.83 -27.91 15.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.28 35.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.04 58.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -136.12 97.68 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.15 -45.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.381 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.22 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.83 -22.52 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.32 -63.32 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.48 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ttt -50.06 -23.33 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.99 -23.63 7.75 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.88 -34.87 2.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.204 0.526 . . . . 0.0 111.054 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.844 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.09 93.52 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.21 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.14 33.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.505 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.85 -29.89 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -63.89 -31.5 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.55 28.66 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.99 147.32 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.59 -22.58 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.817 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.3 mt -64.17 138.82 97.53 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.18 134.39 11.51 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.578 2.186 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.51 30.56 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -49.99 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.42 114.25 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.68 -28.46 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.57 35.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.79 58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -135.6 97.45 3.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.528 0.68 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -45.55 5.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.382 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.27 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.88 -22.35 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.575 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.5 -63.59 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.526 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.51 -23.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -53.46 -23.46 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.76 2.39 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 111.024 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.817 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.8 m -84.45 -175.51 5.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.227 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.06 65.21 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.503 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.51 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -58.98 -30.37 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -60.39 -35.08 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.48 27.74 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.1 t -73.83 146.52 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.26 -22.56 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.019 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.845 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.9 mt -63.38 139.49 97.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.39 133.87 10.95 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.581 2.187 . . . . 0.0 112.41 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 56.57 31.1 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -50.0 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.74 106.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.96 -28.6 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.229 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.61 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.04 58.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -136.5 97.95 3.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.48 0.657 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.17 -45.01 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.334 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.98 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.1 -22.42 64.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.748 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.572 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.17 -63.41 1.3 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.477 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ttt -49.81 -23.52 1.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -53.21 -23.63 9.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.77 -34.77 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.0 111.096 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.845 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.1 m -84.42 115.15 22.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.24 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.1 32.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.297 -0.858 . . . . 1.0 110.835 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.805 0.336 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.584 HG12 HG22 ' A' ' 16' ' ' VAL . 12.1 p -58.67 -29.57 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -31.44 69.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.33 26.97 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.6 t -71.51 147.35 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.76 -23.05 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.839 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.15 138.29 97.3 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.81 133.79 11.59 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.611 2.207 . . . . 0.0 112.376 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.49 31.05 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.59 -50.37 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.38 113.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.49 -28.47 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.58 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.45 58.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.28 97.74 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.21 -45.23 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.329 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.13 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.97 -22.47 64.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.732 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.573 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.34 -63.37 1.3 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.498 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttt -49.89 -23.44 1.94 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.14 -23.64 8.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.8 -34.82 2.36 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.201 0.524 . . . . 0.0 111.003 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.839 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.2 m -84.34 101.14 11.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.191 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.39 37.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.252 -0.88 . . . . 1.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -58.75 -29.68 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -31.37 72.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.31 27.54 9.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.81 147.86 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.62 -23.11 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.04 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.814 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.3 mt -64.04 138.65 97.47 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.04 134.41 11.68 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.6 30.58 19.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -49.48 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.15 113.94 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.01 -28.66 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.67 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.48 58.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -135.68 97.5 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.449 0.643 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.91 -45.69 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.324 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.19 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.83 -22.32 64.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.575 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.54 -63.59 1.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.46 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -49.55 -23.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -53.43 -23.5 10.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.68 2.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.147 0.499 . . . . 0.0 110.99 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.814 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.6 m -84.51 79.6 9.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.94 31.28 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.765 0.317 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.685 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -58.89 -29.56 40.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -59.79 -31.17 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.45 27.13 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.2 t -70.2 147.66 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.04 -23.12 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.836 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.17 138.19 97.27 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.91 134.04 11.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 57.66 30.85 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -50.95 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 116.33 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.61 -28.1 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.92 58.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -135.79 97.58 3.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.531 0.681 . . . . 0.0 111.054 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.685 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.26 -45.45 3.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.314 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.01 68.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.616 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.82 -22.59 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.768 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.572 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.33 -63.53 1.28 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.37 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.87 -23.43 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.9 t -53.04 -23.69 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.79 -34.92 2.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.241 0.543 . . . . 0.0 111.031 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.836 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.4 m -83.96 95.8 8.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.169 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.85 62.9 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.282 -0.866 . . . . 1.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.41 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.78 0.324 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.767 HG12 HG22 ' A' ' 16' ' ' VAL . 13.8 p -59.89 -32.03 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -60.45 -31.06 70.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.67 15.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.307 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.43 135.47 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.8 -22.72 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.254 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.63 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.41 130.5 89.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.013 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.98 137.21 17.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.534 2.156 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 57.91 29.05 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.02 -49.61 71.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 149.86 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.63 -25.32 10.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.37 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.97 58.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -137.3 98.48 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.552 0.692 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.767 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.01 -40.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.446 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.78 -50.78 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.61 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.32 -22.68 63.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.59 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.392 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -23.53 2.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.83 -23.98 8.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.78 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.0 111.013 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.63 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -84.42 107.04 16.46 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.214 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.52 31.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.85 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.499 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.798 0.332 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 16' ' ' VAL . 12.0 p -59.3 -29.76 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -31.02 72.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.47 20.7 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -77.08 137.46 38.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.811 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.56 -22.58 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.184 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.603 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.0 mt -70.0 133.39 88.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.0 135.28 13.82 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.588 2.192 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttm 57.89 29.51 17.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.0 -46.63 83.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.8 150.42 37.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.72 -26.12 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.222 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.58 35.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.71 58.03 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -139.27 99.32 3.72 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.525 0.678 . . . . 0.0 110.994 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.14 -39.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.371 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.94 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.608 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.15 -22.49 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.67 -63.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.386 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.2 ttt -49.55 -23.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.83 -23.96 8.04 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.3 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.241 0.543 . . . . 0.0 111.019 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.4 m -84.96 111.07 19.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.209 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.04 32.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttm . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.304 -0.855 . . . . 1.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.441 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.788 0.328 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.716 HG12 HG22 ' A' ' 16' ' ' VAL . 12.6 p -59.87 -30.65 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -63.09 -31.42 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.44 21.88 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.282 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.7 t -73.75 135.98 43.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.71 -23.2 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.37 130.46 89.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.965 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.95 137.38 17.47 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.99 29.11 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.14 -50.18 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.26 148.26 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.77 -25.02 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.86 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.69 58.54 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -138.14 98.74 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.9 -40.03 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.432 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.6 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.39 -22.7 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.49 -63.37 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.434 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -23.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -52.84 -23.99 8.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.69 2.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.203 0.525 . . . . 0.0 110.922 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 m -84.48 99.03 10.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.72 34.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 1.0 110.898 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.78 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -57.65 -30.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -60.54 -30.58 69.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.62 21.79 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.346 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t -73.32 135.67 44.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.764 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.54 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.633 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.39 130.23 89.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.84 137.49 17.8 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.517 2.145 . . . . 0.0 112.231 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.85 29.14 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.38 -48.24 76.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.33 144.29 57.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.84 -25.03 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.253 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.29 35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.7 58.29 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -136.57 98.22 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.453 0.644 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.69 -41.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.405 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.95 -50.1 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.611 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.88 -22.47 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.778 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.47 -63.28 1.31 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.435 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -23.4 2.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.02 -23.84 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.73 -34.64 2.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.237 0.542 . . . . 0.0 110.937 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.633 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.6 m -84.53 120.02 25.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.234 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.71 36.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.187 -0.911 . . . . 1.0 110.897 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.8 0.333 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.731 HG12 HG22 ' A' ' 16' ' ' VAL . 12.3 p -57.4 -29.77 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -60.08 -31.04 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.43 22.27 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.313 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.3 t -74.0 136.44 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.04 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.625 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.4 mt -70.22 131.53 88.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.017 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.33 136.73 16.18 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.54 2.16 . . . . 0.0 112.278 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 57.77 29.4 17.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.23 -46.04 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 140.36 58.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.3 -24.95 14.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.72 35.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.37 58.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -136.7 98.37 3.77 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.46 0.647 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.731 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.12 -41.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.452 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -49.62 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.03 -22.66 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.683 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.584 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.32 -63.36 1.3 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.436 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -50.07 -23.51 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.2 t -53.0 -23.85 8.22 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.62 -34.67 2.41 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.0 111.004 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.625 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 m -84.5 121.3 27.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.274 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.79 36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.1 tttm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.166 -0.921 . . . . 1.0 110.999 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.478 ' H ' HG22 ' A' ' 16' ' ' VAL . 12.9 p -58.3 -29.8 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 m -61.47 -32.79 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.93 20.27 19.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.3 t -76.04 137.97 40.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.49 -22.84 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.595 HD12 ' SG ' ' A' ' 23' ' ' CYS . 1.8 mt -69.89 133.62 88.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.04 135.24 13.73 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.554 2.169 . . . . 0.0 112.339 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.86 29.57 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.14 -45.89 86.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 150.07 39.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.61 -26.17 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.73 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.49 58.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.466 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 48.8 t-20 -139.22 99.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 2' ' ' VAL . 2.2 t -44.13 -39.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.408 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -55.91 -50.49 70.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.37 -22.72 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.584 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.53 -63.45 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.419 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.8 ttt -49.87 -23.72 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.9 t -52.67 -24.16 8.01 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.53 -34.35 2.46 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.185 0.516 . . . . 0.0 110.987 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.595 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -84.86 118.3 24.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.191 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.73 36.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.296 -0.859 . . . . 1.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.505 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.825 0.345 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.476 HG12 HG22 ' A' ' 16' ' ' VAL . 11.9 p -59.21 -30.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -60.58 -32.95 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.28 27.34 9.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t -76.22 143.4 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.13 -22.05 13.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.87 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.1 mt -64.52 138.45 97.45 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.65 132.61 11.05 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 56.84 28.75 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.8 -46.85 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.2 106.61 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.32 -29.46 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.96 35.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.83 58.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -138.02 98.74 3.71 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.506 0.669 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.42 -44.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.43 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -49.69 72.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.763 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.58 -22.26 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.56 -63.31 1.3 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.493 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.0 ttm -49.74 -23.7 1.94 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.5 t -53.93 -23.47 13.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -126.47 -34.14 2.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.147 0.498 . . . . 0.0 111.04 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.87 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.0 m -85.47 102.51 13.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.179 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.16 59.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.238 -0.886 . . . . 1.0 110.871 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.502 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.81 0.338 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.601 HG12 HG22 ' A' ' 16' ' ' VAL . 12.1 p -58.51 -29.3 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -31.55 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.16 26.8 9.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.8 t -68.72 138.19 54.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.69 -27.24 18.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.881 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.9 mt -68.3 150.98 97.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.6 124.14 9.57 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.535 2.157 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.05 -76.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.43 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.15 136.25 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.98 23.44 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.311 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.31 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.5 60.53 3.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.331 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -129.57 94.94 3.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.501 0.667 . . . . 0.0 110.971 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.601 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -50.03 -42.05 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.295 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -51.35 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.599 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.96 -22.5 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.759 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.576 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.62 -63.85 1.23 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.481 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -49.4 -23.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.2 t -52.48 -23.83 6.9 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.93 -35.26 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.263 0.554 . . . . 0.0 111.034 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.881 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.8 m -83.67 -175.6 5.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.165 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.64 65.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.874 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.488 ' C ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.723 HG12 HG22 ' A' ' 16' ' ' VAL . 14.3 p -60.31 -30.35 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.52 -39.93 92.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.36 25.77 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.0 t -65.66 138.79 58.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.68 -27.66 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.881 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.3 mt -67.73 151.11 97.46 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.23 124.25 9.83 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.182 . . . . 0.0 112.246 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm 64.9 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.38 -75.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.09 140.76 33.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.28 23.19 9.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.26 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.344 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.51 60.47 3.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -131.74 95.9 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -50.08 -40.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.227 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.74 -51.24 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.7 -22.76 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.577 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.64 -63.97 1.21 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.404 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -23.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.1 t -52.42 -23.77 6.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.97 -35.31 2.28 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.235 0.54 . . . . 0.0 111.034 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.881 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.5 m -83.38 101.78 11.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.249 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.71 32.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.951 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 11' ' ' ALA . 13.8 p -59.46 -36.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -60.3 -32.58 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.71 27.8 9.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.2 t -58.19 143.5 43.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.28 -27.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.668 HD12 ' SG ' ' A' ' 23' ' ' CYS . 18.8 mt -70.7 161.66 75.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.12 67.07 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? 62.94 122.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.6 m -120.68 -59.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.554 ' CB ' HG21 ' A' ' 2' ' ' VAL . . . -56.49 100.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.206 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.08 21.16 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.11 35.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.45 59.15 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -135.83 97.91 3.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 111.005 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 2' ' ' VAL . 2.2 t -57.71 -41.56 79.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.174 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.52 66.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.582 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.85 -22.95 62.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.728 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -90.07 -63.95 1.21 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.456 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 ttp -49.66 -23.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.1 t -52.07 -23.68 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -127.32 -35.7 2.17 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.255 0.55 . . . . 0.0 110.973 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.668 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -82.96 -175.55 5.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.196 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.29 65.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 16' ' ' VAL . 11.8 p -59.95 -30.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m -60.51 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.08 28.26 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.1 t -71.39 146.86 48.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.84 -22.53 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.084 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.841 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.21 138.15 97.26 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.945 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.95 133.83 11.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.543 2.162 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.78 30.95 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -51.4 56.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.71 116.95 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.26 -28.0 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.38 58.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.03 97.64 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.742 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.16 -44.68 3.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.386 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -50.32 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.82 -22.51 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.43 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.458 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttt -50.02 -23.34 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.6 t -52.94 -23.74 7.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.87 -34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.497 . . . . 0.0 110.98 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.841 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.04 79.68 9.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.275 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.52 36.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tttm . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.798 0.333 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.681 HG12 HG22 ' A' ' 16' ' ' VAL . 11.8 p -59.57 -30.29 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -61.46 -33.05 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.94 28.41 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.4 t -72.33 146.66 46.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -22.46 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.842 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.41 138.04 97.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.82 133.89 11.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.166 . . . . 0.0 112.398 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 57.75 30.88 19.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.02 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 114.88 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.04 -28.16 17.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.36 35.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.29 58.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -136.1 97.73 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.47 0.653 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.681 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.27 -44.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.281 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.18 68.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.03 -22.37 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.38 -63.25 1.32 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.519 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -23.41 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -53.04 -23.66 8.09 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.79 -34.95 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.217 0.532 . . . . 0.0 111.042 -179.763 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.842 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.5 m -84.14 95.97 8.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.263 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.37 36.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.257 -0.877 . . . . 1.0 110.893 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -59.68 -30.25 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -62.05 -31.82 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.17 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.1 t -72.1 147.02 47.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.811 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.95 -22.66 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.841 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.0 mt -63.25 138.6 97.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.99 133.88 11.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.587 2.191 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 57.29 30.88 19.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.08 -50.77 62.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.69 115.82 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.1 -28.08 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.33 58.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -136.04 97.67 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.461 0.648 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.729 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.31 -44.91 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.368 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -50.32 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.8 -22.39 64.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.36 -63.48 1.28 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.449 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.85 -23.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.0 -23.71 7.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.68 -34.93 2.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.29 0.567 . . . . 0.0 111.078 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.841 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.4 m -84.14 87.25 7.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.228 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.89 36.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.15 -0.928 . . . . 1.0 110.856 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.785 0.326 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -59.82 -30.5 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -61.7 -32.64 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.06 28.09 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 28.3 t -71.81 146.28 48.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.21 -22.47 12.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.842 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.9 mt -63.36 137.92 97.21 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.84 133.8 11.57 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.634 2.223 . . . . 0.0 112.3 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.5 30.96 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -51.38 57.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.47 117.6 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.98 -28.17 15.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.66 58.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 8.9 t-20 -136.36 97.69 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.726 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.14 -44.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.377 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -54.33 -50.49 67.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.73 -22.41 63.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.55 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.473 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 ttt -49.88 -23.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -52.88 -23.8 7.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.81 -34.85 2.35 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.198 0.523 . . . . 0.0 110.986 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.842 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.06 57.63 4.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.257 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.89 36.62 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.932 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.691 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -59.09 -29.46 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -59.4 -31.27 69.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.05 26.88 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 24.8 t -70.33 147.28 49.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -23.01 11.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.844 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.7 mt -63.04 138.23 97.27 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.98 133.87 11.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.576 2.184 . . . . 0.0 112.366 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.68 31.0 19.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -51.17 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.57 117.14 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.83 -27.91 15.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.28 35.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.04 58.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -136.12 97.68 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.15 -45.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.381 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.22 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.83 -22.52 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.32 -63.32 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.48 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ttt -50.06 -23.33 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.99 -23.63 7.75 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.88 -34.87 2.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.204 0.526 . . . . 0.0 111.054 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.844 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.09 93.52 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.21 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.14 33.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.85 -29.89 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -63.89 -31.5 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.55 28.66 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 22.9 t -73.99 147.32 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.59 -22.58 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.817 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.3 mt -64.17 138.82 97.53 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.18 134.39 11.51 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.578 2.186 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.51 30.56 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -49.99 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.42 114.25 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.68 -28.46 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.57 35.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.79 58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -135.6 97.45 3.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.528 0.68 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -45.55 5.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.382 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.27 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.88 -22.35 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.5 -63.59 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.526 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.51 -23.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -53.46 -23.46 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.76 2.39 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 111.024 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.817 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.8 m -84.45 -175.51 5.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.227 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.06 65.21 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.51 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -58.98 -30.37 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -60.39 -35.08 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.48 27.74 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 30.1 t -73.83 146.52 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.26 -22.56 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.019 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.845 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.9 mt -63.38 139.49 97.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.39 133.87 10.95 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.581 2.187 . . . . 0.0 112.41 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 56.57 31.1 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -50.0 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.74 106.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.96 -28.6 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.229 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.61 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.04 58.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -136.5 97.95 3.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.48 0.657 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.17 -45.01 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.334 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.98 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.1 -22.42 64.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.748 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.17 -63.41 1.3 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.477 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ttt -49.81 -23.52 1.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -53.21 -23.63 9.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.77 -34.77 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.0 111.096 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.845 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.1 m -84.42 115.15 22.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.24 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.1 32.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.297 -0.858 . . . . 1.0 110.835 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.805 0.336 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.584 HG12 HG22 ' A' ' 16' ' ' VAL . 12.1 p -58.67 -29.57 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -31.44 69.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.33 26.97 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 24.6 t -71.51 147.35 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.76 -23.05 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.839 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.15 138.29 97.3 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.81 133.79 11.59 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.611 2.207 . . . . 0.0 112.376 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.49 31.05 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.59 -50.37 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.38 113.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.49 -28.47 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.58 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.45 58.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.28 97.74 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.21 -45.23 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.329 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.13 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.97 -22.47 64.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.732 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.34 -63.37 1.3 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.498 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttt -49.89 -23.44 1.94 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.14 -23.64 8.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.8 -34.82 2.36 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.201 0.524 . . . . 0.0 111.003 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.839 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.2 m -84.34 101.14 11.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.191 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.39 37.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.252 -0.88 . . . . 1.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -58.75 -29.68 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -31.37 72.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.31 27.54 9.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 21.0 t -73.81 147.86 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.62 -23.11 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.04 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.814 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.3 mt -64.04 138.65 97.47 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.04 134.41 11.68 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.6 30.58 19.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -49.48 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.15 113.94 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.01 -28.66 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.67 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.48 58.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -135.68 97.5 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.449 0.643 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.91 -45.69 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.324 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.19 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.83 -22.32 64.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.54 -63.59 1.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.46 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -49.55 -23.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -53.43 -23.5 10.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.68 2.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.147 0.499 . . . . 0.0 110.99 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.814 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.6 m -84.51 79.6 9.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.94 31.28 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.765 0.317 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.685 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -58.89 -29.56 40.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -59.79 -31.17 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.45 27.13 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 22.2 t -70.2 147.66 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.04 -23.12 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.836 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.17 138.19 97.27 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.91 134.04 11.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 57.66 30.85 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -50.95 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 116.33 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.61 -28.1 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.92 58.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -135.79 97.58 3.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.531 0.681 . . . . 0.0 111.054 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.685 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.26 -45.45 3.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.314 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.01 68.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.616 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.82 -22.59 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.768 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.33 -63.53 1.28 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.37 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.87 -23.43 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.9 t -53.04 -23.69 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.79 -34.92 2.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.241 0.543 . . . . 0.0 111.031 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.836 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.4 m -83.96 95.8 8.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.169 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.85 62.9 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.282 -0.866 . . . . 1.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.78 0.324 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.767 HG12 HG22 ' A' ' 16' ' ' VAL . 13.8 p -59.89 -32.03 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -60.45 -31.06 70.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.67 15.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.307 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.9 t -74.43 135.47 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.8 -22.72 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.254 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.63 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.41 130.5 89.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.013 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.98 137.21 17.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.534 2.156 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 57.91 29.05 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.02 -49.61 71.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 149.86 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.63 -25.32 10.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.37 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.97 58.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -137.3 98.48 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.552 0.692 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.767 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.01 -40.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.446 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.78 -50.78 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.61 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.32 -22.68 63.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.59 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.392 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -23.53 2.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.83 -23.98 8.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.78 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.0 111.013 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.63 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -84.42 107.04 16.46 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.214 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.52 31.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.85 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.798 0.332 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 16' ' ' VAL . 12.0 p -59.3 -29.76 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -31.02 72.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.47 20.7 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.1 t -77.08 137.46 38.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.56 -22.58 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.184 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.603 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.0 mt -70.0 133.39 88.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.0 135.28 13.82 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.588 2.192 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttm 57.89 29.51 17.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.0 -46.63 83.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.8 150.42 37.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.72 -26.12 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.222 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.58 35.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.71 58.03 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -139.27 99.32 3.72 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.525 0.678 . . . . 0.0 110.994 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.14 -39.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.371 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.94 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.608 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.15 -22.49 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.59 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.67 -63.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.386 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.2 ttt -49.55 -23.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.83 -23.96 8.04 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.3 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.241 0.543 . . . . 0.0 111.019 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.4 m -84.96 111.07 19.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.209 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.04 32.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttm . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.304 -0.855 . . . . 1.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.788 0.328 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.716 HG12 HG22 ' A' ' 16' ' ' VAL . 12.6 p -59.87 -30.65 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -63.09 -31.42 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.44 21.88 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.282 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 44.7 t -73.75 135.98 43.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.71 -23.2 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.37 130.46 89.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.965 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.95 137.38 17.47 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.99 29.11 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.14 -50.18 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.26 148.26 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.77 -25.02 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.86 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.69 58.54 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -138.14 98.74 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.9 -40.03 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.432 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.6 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.39 -22.7 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -89.49 -63.37 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.434 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -23.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -52.84 -23.99 8.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.69 2.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.203 0.525 . . . . 0.0 110.922 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 m -84.48 99.03 10.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.72 34.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 1.0 110.898 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.78 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -57.65 -30.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -60.54 -30.58 69.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.62 21.79 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.346 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 44.5 t -73.32 135.67 44.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.764 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.54 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.633 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.39 130.23 89.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.84 137.49 17.8 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.517 2.145 . . . . 0.0 112.231 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.85 29.14 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.38 -48.24 76.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.33 144.29 57.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.84 -25.03 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.253 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.29 35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.7 58.29 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -136.57 98.22 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.453 0.644 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.69 -41.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.405 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.95 -50.1 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.611 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.88 -22.47 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.778 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.47 -63.28 1.31 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.435 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -23.4 2.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.02 -23.84 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.73 -34.64 2.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.237 0.542 . . . . 0.0 110.937 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.633 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.6 m -84.53 120.02 25.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.234 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.71 36.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.187 -0.911 . . . . 1.0 110.897 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.8 0.333 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.731 HG12 HG22 ' A' ' 16' ' ' VAL . 12.3 p -57.4 -29.77 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -60.08 -31.04 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.43 22.27 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.313 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.3 t -74.0 136.44 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.04 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.625 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.4 mt -70.22 131.53 88.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.017 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.33 136.73 16.18 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.54 2.16 . . . . 0.0 112.278 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 57.77 29.4 17.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.23 -46.04 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 140.36 58.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.3 -24.95 14.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.72 35.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.37 58.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -136.7 98.37 3.77 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.46 0.647 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.731 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.12 -41.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.452 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -49.62 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.03 -22.66 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.683 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.32 -63.36 1.3 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.436 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -50.07 -23.51 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.2 t -53.0 -23.85 8.22 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.62 -34.67 2.41 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.0 111.004 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.625 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 m -84.5 121.3 27.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.274 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.79 36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.1 tttm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.166 -0.921 . . . . 1.0 110.999 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.478 ' H ' HG22 ' A' ' 16' ' ' VAL . 12.9 p -58.3 -29.8 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 m -61.47 -32.79 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.93 20.27 19.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.3 t -76.04 137.97 40.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.49 -22.84 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.595 HD12 ' SG ' ' A' ' 23' ' ' CYS . 1.8 mt -69.89 133.62 88.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.04 135.24 13.73 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.554 2.169 . . . . 0.0 112.339 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.86 29.57 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.14 -45.89 86.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 150.07 39.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.61 -26.17 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.73 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.49 58.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.466 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 48.8 t-20 -139.22 99.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 2' ' ' VAL . 2.2 t -44.13 -39.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.408 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -55.91 -50.49 70.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.37 -22.72 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.53 -63.45 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.419 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.8 ttt -49.87 -23.72 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.9 t -52.67 -24.16 8.01 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.53 -34.35 2.46 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.185 0.516 . . . . 0.0 110.987 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.595 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -84.86 118.3 24.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.191 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.73 36.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.296 -0.859 . . . . 1.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.825 0.345 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.476 HG12 HG22 ' A' ' 16' ' ' VAL . 11.9 p -59.21 -30.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -60.58 -32.95 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.28 27.34 9.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 37.3 t -76.22 143.4 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.13 -22.05 13.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.87 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.1 mt -64.52 138.45 97.45 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.65 132.61 11.05 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 56.84 28.75 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.8 -46.85 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.2 106.61 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.32 -29.46 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.96 35.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.83 58.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -138.02 98.74 3.71 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.506 0.669 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.42 -44.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.43 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -49.69 72.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.763 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.58 -22.26 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -89.56 -63.31 1.3 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.493 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.0 ttm -49.74 -23.7 1.94 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.5 t -53.93 -23.47 13.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -126.47 -34.14 2.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.147 0.498 . . . . 0.0 111.04 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.87 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.0 m -85.47 102.51 13.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.179 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.16 59.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.238 -0.886 . . . . 1.0 110.871 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.81 0.338 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.601 HG12 HG22 ' A' ' 16' ' ' VAL . 12.1 p -58.51 -29.3 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -31.55 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.16 26.8 9.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 15.8 t -68.72 138.19 54.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.69 -27.24 18.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.881 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.9 mt -68.3 150.98 97.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.6 124.14 9.57 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.535 2.157 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.05 -76.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.43 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.15 136.25 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.98 23.44 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.311 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.31 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.5 60.53 3.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.331 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -129.57 94.94 3.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.501 0.667 . . . . 0.0 110.971 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.601 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -50.03 -42.05 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.295 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -51.35 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.599 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.96 -22.5 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.759 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.62 -63.85 1.23 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.481 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -49.4 -23.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.2 t -52.48 -23.83 6.9 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.93 -35.26 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.263 0.554 . . . . 0.0 111.034 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.881 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.8 m -83.67 -175.6 5.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.165 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.64 65.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.874 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.723 HG12 HG22 ' A' ' 16' ' ' VAL . 14.3 p -60.31 -30.35 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.52 -39.93 92.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.36 25.77 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 15.0 t -65.66 138.79 58.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.68 -27.66 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.881 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.3 mt -67.73 151.11 97.46 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.23 124.25 9.83 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.182 . . . . 0.0 112.246 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm 64.9 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.38 -75.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.09 140.76 33.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.28 23.19 9.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.26 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.344 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.51 60.47 3.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -131.74 95.9 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -50.08 -40.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.227 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.74 -51.24 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.7 -22.76 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.593 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.64 -63.97 1.21 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.404 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -23.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.1 t -52.42 -23.77 6.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.97 -35.31 2.28 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.235 0.54 . . . . 0.0 111.034 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.881 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.5 m -83.38 101.78 11.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.249 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.71 32.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.951 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 11' ' ' ALA . 13.8 p -59.46 -36.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -60.3 -32.58 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.71 27.8 9.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.2 t -58.19 143.5 43.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.28 -27.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.668 HD12 ' SG ' ' A' ' 23' ' ' CYS . 18.8 mt -70.7 161.66 75.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.12 67.07 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? 62.94 122.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.6 m -120.68 -59.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.554 ' CB ' HG21 ' A' ' 2' ' ' VAL . . . -56.49 100.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.206 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.08 21.16 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.11 35.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.45 59.15 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -135.83 97.91 3.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 111.005 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 2' ' ' VAL . 2.2 t -57.71 -41.56 79.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.174 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.52 66.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.582 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.85 -22.95 62.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.728 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -90.07 -63.95 1.21 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.456 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 ttp -49.66 -23.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.1 t -52.07 -23.68 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -127.32 -35.7 2.17 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.255 0.55 . . . . 0.0 110.973 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.668 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -82.96 -175.55 5.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.196 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.29 65.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 16' ' ' VAL . 11.8 p -59.95 -30.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m -60.51 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.08 28.26 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.1 t -71.39 146.86 48.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.84 -22.53 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.084 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.841 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.21 138.15 97.26 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.945 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.95 133.83 11.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.543 2.162 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.78 30.95 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -51.4 56.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.71 116.95 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.26 -28.0 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.38 58.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.03 97.64 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.742 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.16 -44.68 3.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.386 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -50.32 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.82 -22.51 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.43 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.458 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttt -50.02 -23.34 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.6 t -52.94 -23.74 7.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.87 -34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.497 . . . . 0.0 110.98 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.841 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.04 79.68 9.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.275 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.52 36.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tttm . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.798 0.333 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.681 HG12 HG22 ' A' ' 16' ' ' VAL . 11.8 p -59.57 -30.29 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -61.46 -33.05 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.94 28.41 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.4 t -72.33 146.66 46.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -22.46 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.842 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.41 138.04 97.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.82 133.89 11.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.166 . . . . 0.0 112.398 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 57.75 30.88 19.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.02 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 114.88 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.04 -28.16 17.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.36 35.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.29 58.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -136.1 97.73 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.47 0.653 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.681 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.27 -44.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.281 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.18 68.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.03 -22.37 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.38 -63.25 1.32 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.519 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -23.41 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -53.04 -23.66 8.09 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.79 -34.95 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.217 0.532 . . . . 0.0 111.042 -179.763 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.842 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.5 m -84.14 95.97 8.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.263 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.37 36.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.257 -0.877 . . . . 1.0 110.893 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -59.68 -30.25 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -62.05 -31.82 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.17 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.1 t -72.1 147.02 47.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.811 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.95 -22.66 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.841 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.0 mt -63.25 138.6 97.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.99 133.88 11.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.587 2.191 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 57.29 30.88 19.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.08 -50.77 62.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.69 115.82 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.1 -28.08 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.33 58.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.04 97.67 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.461 0.648 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.729 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.31 -44.91 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.368 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -50.32 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.8 -22.39 64.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.36 -63.48 1.28 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.449 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.85 -23.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.0 -23.71 7.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.68 -34.93 2.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.29 0.567 . . . . 0.0 111.078 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.841 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.4 m -84.14 87.25 7.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.228 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.89 36.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.15 -0.928 . . . . 1.0 110.856 -179.905 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.785 0.326 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -59.82 -30.5 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -61.7 -32.64 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.06 28.09 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 28.3 t -71.81 146.28 48.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.21 -22.47 12.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.842 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.9 mt -63.36 137.92 97.21 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.84 133.8 11.57 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.634 2.223 . . . . 0.0 112.3 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.5 30.96 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -51.38 57.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.47 117.6 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.98 -28.17 15.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.66 58.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.464 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 8.9 t-20 -136.36 97.69 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.726 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.14 -44.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.377 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -54.33 -50.49 67.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.73 -22.41 63.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.55 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.473 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 ttt -49.88 -23.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -52.88 -23.8 7.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.81 -34.85 2.35 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.198 0.523 . . . . 0.0 110.986 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.842 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.06 57.63 4.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.257 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.89 36.62 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.932 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.691 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -59.09 -29.46 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -59.4 -31.27 69.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.05 26.88 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 24.8 t -70.33 147.28 49.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -23.01 11.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.844 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.7 mt -63.04 138.23 97.27 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.98 133.87 11.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.576 2.184 . . . . 0.0 112.366 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.68 31.0 19.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -51.17 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.57 117.14 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.83 -27.91 15.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.28 35.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.04 58.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -136.12 97.68 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.15 -45.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.381 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.22 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.83 -22.52 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.32 -63.32 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.48 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ttt -50.06 -23.33 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.99 -23.63 7.75 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.88 -34.87 2.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.204 0.526 . . . . 0.0 111.054 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.844 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.09 93.52 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.21 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.14 33.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.85 -29.89 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -63.89 -31.5 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.55 28.66 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 22.9 t -73.99 147.32 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.59 -22.58 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.817 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.3 mt -64.17 138.82 97.53 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.18 134.39 11.51 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.578 2.186 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.51 30.56 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -49.99 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.42 114.25 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.68 -28.46 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.57 35.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.79 58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -135.6 97.45 3.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.528 0.68 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -45.55 5.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.382 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.27 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.88 -22.35 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.5 -63.59 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.526 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.51 -23.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -53.46 -23.46 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.76 2.39 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 111.024 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.817 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.8 m -84.45 -175.51 5.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.227 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.06 65.21 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.51 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -58.98 -30.37 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -60.39 -35.08 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.48 27.74 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 30.1 t -73.83 146.52 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.26 -22.56 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.019 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.845 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.9 mt -63.38 139.49 97.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.39 133.87 10.95 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.581 2.187 . . . . 0.0 112.41 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 56.57 31.1 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -50.0 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.74 106.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.96 -28.6 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.229 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.61 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.04 58.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -136.5 97.95 3.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.48 0.657 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.17 -45.01 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.334 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.98 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.1 -22.42 64.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.748 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.17 -63.41 1.3 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.477 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ttt -49.81 -23.52 1.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -53.21 -23.63 9.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.77 -34.77 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.0 111.096 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.845 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.1 m -84.42 115.15 22.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.24 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.1 32.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.297 -0.858 . . . . 1.0 110.835 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.805 0.336 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.584 HG12 HG22 ' A' ' 16' ' ' VAL . 12.1 p -58.67 -29.57 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -31.44 69.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.33 26.97 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 24.6 t -71.51 147.35 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.76 -23.05 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.839 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.15 138.29 97.3 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.81 133.79 11.59 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.611 2.207 . . . . 0.0 112.376 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.49 31.05 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.59 -50.37 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.38 113.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.49 -28.47 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.58 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.45 58.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.28 97.74 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.21 -45.23 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.329 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.13 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.97 -22.47 64.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.732 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.34 -63.37 1.3 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.498 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttt -49.89 -23.44 1.94 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.14 -23.64 8.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.8 -34.82 2.36 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.201 0.524 . . . . 0.0 111.003 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.839 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.2 m -84.34 101.14 11.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.191 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.39 37.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.252 -0.88 . . . . 1.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -58.75 -29.68 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -31.37 72.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.31 27.54 9.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 21.0 t -73.81 147.86 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.62 -23.11 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.04 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.814 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.3 mt -64.04 138.65 97.47 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.04 134.41 11.68 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.6 30.58 19.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -49.48 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.15 113.94 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.01 -28.66 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.67 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.48 58.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -135.68 97.5 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.449 0.643 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.91 -45.69 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.324 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.19 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.83 -22.32 64.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.54 -63.59 1.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.46 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -49.55 -23.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -53.43 -23.5 10.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.68 2.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.147 0.499 . . . . 0.0 110.99 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.814 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.6 m -84.51 79.6 9.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.94 31.28 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.765 0.317 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.685 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -58.89 -29.56 40.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -59.79 -31.17 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.45 27.13 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 22.2 t -70.2 147.66 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.04 -23.12 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.836 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.17 138.19 97.27 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.91 134.04 11.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 57.66 30.85 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -50.95 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 116.33 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.61 -28.1 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.92 58.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.79 97.58 3.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.531 0.681 . . . . 0.0 111.054 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.685 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.26 -45.45 3.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.314 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.01 68.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.616 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.82 -22.59 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.768 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.33 -63.53 1.28 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.37 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.87 -23.43 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.9 t -53.04 -23.69 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.79 -34.92 2.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.241 0.543 . . . . 0.0 111.031 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.836 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.4 m -83.96 95.8 8.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.169 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.85 62.9 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.282 -0.866 . . . . 1.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.78 0.324 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.767 HG12 HG22 ' A' ' 16' ' ' VAL . 13.8 p -59.89 -32.03 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -60.45 -31.06 70.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.67 15.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.307 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.9 t -74.43 135.47 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.8 -22.72 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.254 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.63 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.41 130.5 89.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.013 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.98 137.21 17.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.534 2.156 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 57.91 29.05 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.02 -49.61 71.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 149.86 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.63 -25.32 10.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.37 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.97 58.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.3 98.48 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.552 0.692 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.767 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.01 -40.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.446 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.78 -50.78 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.61 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.32 -22.68 63.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.59 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.392 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -23.53 2.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.83 -23.98 8.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.78 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.0 111.013 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.63 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -84.42 107.04 16.46 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.214 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.52 31.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.85 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.798 0.332 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 16' ' ' VAL . 12.0 p -59.3 -29.76 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -31.02 72.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.47 20.7 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.1 t -77.08 137.46 38.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.56 -22.58 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.184 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.603 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.0 mt -70.0 133.39 88.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.0 135.28 13.82 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.588 2.192 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttm 57.89 29.51 17.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.0 -46.63 83.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.8 150.42 37.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.72 -26.12 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.222 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.58 35.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.71 58.03 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -139.27 99.32 3.72 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.525 0.678 . . . . 0.0 110.994 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.14 -39.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.371 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.94 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.608 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.15 -22.49 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.59 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.67 -63.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.386 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.2 ttt -49.55 -23.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.83 -23.96 8.04 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.3 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.241 0.543 . . . . 0.0 111.019 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.4 m -84.96 111.07 19.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.209 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.04 32.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttm . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.304 -0.855 . . . . 1.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.788 0.328 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.716 HG12 HG22 ' A' ' 16' ' ' VAL . 12.6 p -59.87 -30.65 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -63.09 -31.42 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.44 21.88 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.282 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 44.7 t -73.75 135.98 43.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.71 -23.2 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.37 130.46 89.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.965 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.95 137.38 17.47 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.99 29.11 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.14 -50.18 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.26 148.26 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.77 -25.02 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.86 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.69 58.54 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -138.14 98.74 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.9 -40.03 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.432 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.6 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.39 -22.7 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -89.49 -63.37 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.434 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -23.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -52.84 -23.99 8.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.69 2.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.203 0.525 . . . . 0.0 110.922 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 m -84.48 99.03 10.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.72 34.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 1.0 110.898 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.78 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -57.65 -30.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -60.54 -30.58 69.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.62 21.79 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.346 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 44.5 t -73.32 135.67 44.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.764 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.54 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.633 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.39 130.23 89.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.84 137.49 17.8 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.517 2.145 . . . . 0.0 112.231 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.85 29.14 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.38 -48.24 76.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.33 144.29 57.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.84 -25.03 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.253 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.29 35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.7 58.29 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -136.57 98.22 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.453 0.644 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.69 -41.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.405 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.95 -50.1 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.611 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.88 -22.47 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.778 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.47 -63.28 1.31 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.435 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -23.4 2.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.02 -23.84 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.73 -34.64 2.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.237 0.542 . . . . 0.0 110.937 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.633 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.6 m -84.53 120.02 25.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.234 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.71 36.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.187 -0.911 . . . . 1.0 110.897 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.8 0.333 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.731 HG12 HG22 ' A' ' 16' ' ' VAL . 12.3 p -57.4 -29.77 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -60.08 -31.04 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.43 22.27 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.313 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.3 t -74.0 136.44 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.04 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.625 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.4 mt -70.22 131.53 88.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.017 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.33 136.73 16.18 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.54 2.16 . . . . 0.0 112.278 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 57.77 29.4 17.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.23 -46.04 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 140.36 58.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.3 -24.95 14.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.72 35.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.37 58.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -136.7 98.37 3.77 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.46 0.647 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.731 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.12 -41.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.452 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -49.62 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.03 -22.66 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.683 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.32 -63.36 1.3 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.436 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -50.07 -23.51 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.2 t -53.0 -23.85 8.22 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.62 -34.67 2.41 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.0 111.004 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.625 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 m -84.5 121.3 27.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.274 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.79 36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.1 tttm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.166 -0.921 . . . . 1.0 110.999 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.478 ' H ' HG22 ' A' ' 16' ' ' VAL . 12.9 p -58.3 -29.8 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 m -61.47 -32.79 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.93 20.27 19.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.3 t -76.04 137.97 40.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.49 -22.84 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.595 HD12 ' SG ' ' A' ' 23' ' ' CYS . 1.8 mt -69.89 133.62 88.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.04 135.24 13.73 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.554 2.169 . . . . 0.0 112.339 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.86 29.57 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.14 -45.89 86.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 150.07 39.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.61 -26.17 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.73 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.49 58.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.466 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 48.8 t-20 -139.22 99.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 2' ' ' VAL . 2.2 t -44.13 -39.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.408 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -55.91 -50.49 70.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.37 -22.72 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.53 -63.45 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.419 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.8 ttt -49.87 -23.72 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.9 t -52.67 -24.16 8.01 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.53 -34.35 2.46 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.185 0.516 . . . . 0.0 110.987 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.595 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -84.86 118.3 24.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.191 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.73 36.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.296 -0.859 . . . . 1.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.825 0.345 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.476 HG12 HG22 ' A' ' 16' ' ' VAL . 11.9 p -59.21 -30.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -60.58 -32.95 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.28 27.34 9.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 37.3 t -76.22 143.4 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.13 -22.05 13.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.87 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.1 mt -64.52 138.45 97.45 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.65 132.61 11.05 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 56.84 28.75 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.8 -46.85 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.2 106.61 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.32 -29.46 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.96 35.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.83 58.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -138.02 98.74 3.71 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.506 0.669 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.42 -44.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.43 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -49.69 72.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.763 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.58 -22.26 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -89.56 -63.31 1.3 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.493 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.0 ttm -49.74 -23.7 1.94 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.5 t -53.93 -23.47 13.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -126.47 -34.14 2.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.147 0.498 . . . . 0.0 111.04 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.87 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.0 m -85.47 102.51 13.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.179 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.16 59.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.238 -0.886 . . . . 1.0 110.871 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.81 0.338 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.601 HG12 HG22 ' A' ' 16' ' ' VAL . 12.1 p -58.51 -29.3 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -31.55 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.16 26.8 9.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 15.8 t -68.72 138.19 54.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.69 -27.24 18.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.881 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.9 mt -68.3 150.98 97.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.6 124.14 9.57 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.535 2.157 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.05 -76.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.43 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.15 136.25 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.98 23.44 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.311 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.31 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.5 60.53 3.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.331 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -129.57 94.94 3.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.501 0.667 . . . . 0.0 110.971 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.601 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -50.03 -42.05 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.295 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -51.35 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.599 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.96 -22.5 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.759 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.62 -63.85 1.23 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.481 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -49.4 -23.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.2 t -52.48 -23.83 6.9 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.93 -35.26 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.263 0.554 . . . . 0.0 111.034 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.881 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.8 m -83.67 -175.6 5.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.165 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.64 65.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.874 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.723 HG12 HG22 ' A' ' 16' ' ' VAL . 14.3 p -60.31 -30.35 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.52 -39.93 92.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.36 25.77 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 15.0 t -65.66 138.79 58.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.68 -27.66 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.881 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.3 mt -67.73 151.11 97.46 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.23 124.25 9.83 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.182 . . . . 0.0 112.246 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm 64.9 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.38 -75.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.09 140.76 33.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.28 23.19 9.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.26 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.344 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.51 60.47 3.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.74 95.9 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -50.08 -40.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.227 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.74 -51.24 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.7 -22.76 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.593 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.64 -63.97 1.21 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.404 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -23.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.1 t -52.42 -23.77 6.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.97 -35.31 2.28 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.235 0.54 . . . . 0.0 111.034 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.881 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.5 m -83.38 101.78 11.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.249 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.71 32.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.951 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 11' ' ' ALA . 13.8 p -59.46 -36.9 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -60.3 -32.58 71.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.699 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.71 27.8 9.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 5.2 t -58.19 143.5 43.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.28 -27.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.668 HD12 ' SG ' ' A' ' 23' ' ' CYS . 18.8 mt -70.7 161.66 75.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.12 67.07 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.611 2.207 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? 62.94 122.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.6 m -120.68 -59.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.769 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.554 ' CB ' HG21 ' A' ' 2' ' ' VAL . . . -56.49 100.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.206 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.08 21.16 9.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.11 35.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.45 59.15 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -135.83 97.91 3.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 111.005 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 2' ' ' VAL . 2.2 t -57.71 -41.56 79.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.174 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.52 66.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.582 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.85 -22.95 62.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.728 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -90.07 -63.95 1.21 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.456 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.7 ttp -49.66 -23.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 18' ' ' ALA . 12.1 t -52.07 -23.68 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -127.32 -35.7 2.17 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.255 0.55 . . . . 0.0 110.973 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.668 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -82.96 -175.55 5.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.196 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.29 65.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.283 -0.865 . . . . 1.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 16' ' ' VAL . 11.8 p -59.95 -30.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 m -60.51 -33.42 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.08 28.26 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.1 t -71.39 146.86 48.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.84 -22.53 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.084 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.841 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.21 138.15 97.26 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.945 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.95 133.83 11.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.543 2.162 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.78 30.95 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -51.4 56.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.71 116.95 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.26 -28.0 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.202 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.38 58.72 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.03 97.64 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.742 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.16 -44.68 3.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.386 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -50.32 68.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.82 -22.51 64.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.43 -63.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.458 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.9 ttt -50.02 -23.34 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.6 t -52.94 -23.74 7.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.87 -34.99 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.497 . . . . 0.0 110.98 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.841 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.04 79.68 9.42 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.275 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.52 36.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tttm . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.798 0.333 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.681 HG12 HG22 ' A' ' 16' ' ' VAL . 11.8 p -59.57 -30.29 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -61.46 -33.05 73.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.94 28.41 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.4 t -72.33 146.66 46.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -22.46 12.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.076 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.842 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.41 138.04 97.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.82 133.89 11.65 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.166 . . . . 0.0 112.398 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 57.75 30.88 19.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -51.02 60.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.62 114.88 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.04 -28.16 17.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.36 35.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.29 58.69 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -136.1 97.73 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.47 0.653 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.681 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.27 -44.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.281 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.18 68.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.03 -22.37 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.38 -63.25 1.32 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.519 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -23.41 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -53.04 -23.66 8.09 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.79 -34.95 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.217 0.532 . . . . 0.0 111.042 -179.763 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.842 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.5 m -84.14 95.97 8.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.263 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.37 36.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.257 -0.877 . . . . 1.0 110.893 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -59.68 -30.25 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -62.05 -31.82 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.17 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 27.1 t -72.1 147.02 47.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.811 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.95 -22.66 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.998 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.841 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.0 mt -63.25 138.6 97.39 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.99 133.88 11.41 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.587 2.191 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 57.29 30.88 19.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.08 -50.77 62.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.69 115.82 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.1 -28.08 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.33 58.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.04 97.67 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.461 0.648 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.729 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.31 -44.91 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.368 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.44 -50.32 67.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.8 -22.39 64.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.36 -63.48 1.28 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.449 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.85 -23.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.0 -23.71 7.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.68 -34.93 2.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.29 0.567 . . . . 0.0 111.078 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.841 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.4 m -84.14 87.25 7.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.228 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.89 36.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.15 -0.928 . . . . 1.0 110.856 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.785 0.326 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -59.82 -30.5 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -61.7 -32.64 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.06 28.09 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 28.3 t -71.81 146.28 48.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.21 -22.47 12.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.842 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.9 mt -63.36 137.92 97.21 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.84 133.8 11.57 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.634 2.223 . . . . 0.0 112.3 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.5 30.96 19.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -51.38 57.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.47 117.6 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.98 -28.17 15.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.29 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.66 58.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 8.9 t-20 -136.36 97.69 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.726 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.14 -44.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.377 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -54.33 -50.49 67.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.73 -22.41 63.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.55 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.473 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 ttt -49.88 -23.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -52.88 -23.8 7.83 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.81 -34.85 2.35 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.198 0.523 . . . . 0.0 110.986 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.842 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.06 57.63 4.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.257 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.89 36.62 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.932 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.691 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -59.09 -29.46 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -59.4 -31.27 69.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.05 26.88 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 24.8 t -70.33 147.28 49.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.78 -23.01 11.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.844 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.7 mt -63.04 138.23 97.27 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.98 133.87 11.41 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.576 2.184 . . . . 0.0 112.366 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.68 31.0 19.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -51.17 59.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.57 117.14 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.83 -27.91 15.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.28 35.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.04 58.77 1.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -136.12 97.68 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.15 -45.05 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.381 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.22 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.83 -22.52 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.32 -63.32 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.48 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ttt -50.06 -23.33 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.99 -23.63 7.75 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.88 -34.87 2.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.204 0.526 . . . . 0.0 111.054 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.844 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.7 m -84.09 93.52 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.21 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -162.14 33.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.796 0.331 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.85 -29.89 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -63.89 -31.5 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.55 28.66 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 22.9 t -73.99 147.32 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.59 -22.58 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.817 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.3 mt -64.17 138.82 97.53 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.18 134.39 11.51 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.578 2.186 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.51 30.56 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 -49.99 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.42 114.25 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.68 -28.46 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.57 35.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.79 58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -135.6 97.45 3.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.528 0.68 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.81 -45.55 5.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.382 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.27 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.88 -22.35 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.5 -63.59 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.526 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.51 -23.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -53.46 -23.46 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.76 2.39 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 111.024 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.817 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.8 m -84.45 -175.51 5.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.227 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.06 65.21 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.879 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.51 HG12 HG22 ' A' ' 16' ' ' VAL . 11.7 p -58.98 -30.37 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -60.39 -35.08 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.48 27.74 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 30.1 t -73.83 146.52 44.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.26 -22.56 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.019 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.845 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.9 mt -63.38 139.49 97.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.39 133.87 10.95 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.581 2.187 . . . . 0.0 112.41 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 56.57 31.1 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -50.0 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.74 106.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.96 -28.6 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.229 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.61 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.04 58.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -136.5 97.95 3.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.48 0.657 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.17 -45.01 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.334 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.98 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.1 -22.42 64.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.748 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.17 -63.41 1.3 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.477 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ttt -49.81 -23.52 1.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.3 t -53.21 -23.63 9.07 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.77 -34.77 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.0 111.096 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.845 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.1 m -84.42 115.15 22.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.24 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.1 32.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.297 -0.858 . . . . 1.0 110.835 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.805 0.336 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.584 HG12 HG22 ' A' ' 16' ' ' VAL . 12.1 p -58.67 -29.57 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -60.02 -31.44 69.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.33 26.97 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 24.6 t -71.51 147.35 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.76 -23.05 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.839 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.15 138.29 97.3 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.81 133.79 11.59 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.611 2.207 . . . . 0.0 112.376 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.49 31.05 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.59 -50.37 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.38 113.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.49 -28.47 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.58 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.45 58.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -136.28 97.74 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.21 -45.23 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.329 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.13 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.617 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.97 -22.47 64.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.732 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.34 -63.37 1.3 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.498 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttt -49.89 -23.44 1.94 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.14 -23.64 8.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.8 -34.82 2.36 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.201 0.524 . . . . 0.0 111.003 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.839 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.2 m -84.34 101.14 11.73 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.191 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -161.39 37.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.252 -0.88 . . . . 1.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.806 0.336 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -58.75 -29.68 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -31.37 72.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.31 27.54 9.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 21.0 t -73.81 147.86 42.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.62 -23.11 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.04 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.814 HD12 ' SG ' ' A' ' 23' ' ' CYS . 14.3 mt -64.04 138.65 97.47 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.04 134.41 11.68 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.6 30.58 19.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -49.48 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.15 113.94 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.01 -28.66 15.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.67 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.48 58.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -135.68 97.5 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.449 0.643 . . . . 0.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.91 -45.69 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.324 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.19 67.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.83 -22.32 64.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.54 -63.59 1.26 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.46 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 ttp -49.55 -23.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -53.43 -23.5 10.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.69 -34.68 2.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.147 0.499 . . . . 0.0 110.99 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.814 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.6 m -84.51 79.6 9.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -135.94 31.28 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.176 -0.916 . . . . 1.0 110.884 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.765 0.317 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.685 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -58.89 -29.56 40.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -59.79 -31.17 69.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.45 27.13 9.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.245 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 22.2 t -70.2 147.66 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.04 -23.12 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.836 HD12 ' SG ' ' A' ' 23' ' ' CYS . 13.8 mt -63.17 138.19 97.27 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.91 134.04 11.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 57.66 30.85 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.5 -50.95 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 116.33 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.233 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.61 -28.1 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.27 35.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.92 58.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.79 97.58 3.69 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.531 0.681 . . . . 0.0 111.054 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.685 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -45.26 -45.45 3.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.314 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.01 68.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.616 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.82 -22.59 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.768 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.33 -63.53 1.28 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.37 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -49.87 -23.43 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.9 t -53.04 -23.69 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.79 -34.92 2.35 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.241 0.543 . . . . 0.0 111.031 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.836 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.4 m -83.96 95.8 8.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.169 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.85 62.9 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.282 -0.866 . . . . 1.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.78 0.324 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.767 HG12 HG22 ' A' ' 16' ' ' VAL . 13.8 p -59.89 -32.03 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -60.45 -31.06 70.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.67 15.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.307 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.9 t -74.43 135.47 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.8 -22.72 19.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.254 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.63 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.41 130.5 89.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.013 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.98 137.21 17.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.534 2.156 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 57.91 29.05 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.02 -49.61 71.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.4 149.86 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.63 -25.32 10.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.258 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.37 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.97 58.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.3 98.48 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.552 0.692 . . . . 0.0 110.948 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.767 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.01 -40.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.446 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.78 -50.78 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.61 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.32 -22.68 63.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.59 -63.29 1.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.392 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -23.53 2.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.83 -23.98 8.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.78 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.0 111.013 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.63 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -84.42 107.04 16.46 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.214 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.52 31.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.254 -0.879 . . . . 1.0 110.85 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.798 0.332 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 16' ' ' VAL . 12.0 p -59.3 -29.76 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -31.02 72.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.47 20.7 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.1 t -77.08 137.46 38.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.56 -22.58 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.184 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.603 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.0 mt -70.0 133.39 88.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.0 135.28 13.82 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.588 2.192 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mttm 57.89 29.51 17.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.0 -46.63 83.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.8 150.42 37.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.72 -26.12 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.222 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.58 35.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.71 58.03 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -139.27 99.32 3.72 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.525 0.678 . . . . 0.0 110.994 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.14 -39.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.371 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.94 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.608 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.15 -22.49 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.59 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.67 -63.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.386 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.2 ttt -49.55 -23.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.8 t -52.83 -23.96 8.04 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.3 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.241 0.543 . . . . 0.0 111.019 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.4 m -84.96 111.07 19.36 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.209 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.04 32.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttm . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.304 -0.855 . . . . 1.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.788 0.328 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.716 HG12 HG22 ' A' ' 16' ' ' VAL . 12.6 p -59.87 -30.65 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -63.09 -31.42 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.44 21.88 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.282 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 44.7 t -73.75 135.98 43.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.71 -23.2 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.37 130.46 89.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.965 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.95 137.38 17.47 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.99 29.11 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.14 -50.18 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.26 148.26 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.77 -25.02 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.86 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.69 58.54 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -138.14 98.74 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.9 -40.03 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.432 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.6 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.39 -22.7 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.765 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -89.49 -63.37 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.434 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -23.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.7 t -52.84 -23.99 8.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.61 -34.69 2.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.203 0.525 . . . . 0.0 110.922 -179.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 m -84.48 99.03 10.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.154 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.72 34.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 1.0 110.898 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.78 HG12 HG22 ' A' ' 16' ' ' VAL . 12.2 p -57.65 -30.16 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -60.54 -30.58 69.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.62 21.79 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.346 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 44.5 t -73.32 135.67 44.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.764 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.54 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.633 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.6 mt -70.39 130.23 89.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.84 137.49 17.8 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.517 2.145 . . . . 0.0 112.231 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? 57.85 29.14 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.38 -48.24 76.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.33 144.29 57.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.84 -25.03 13.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.253 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.29 35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.7 58.29 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -136.57 98.22 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.453 0.644 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.78 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.69 -41.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.405 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.95 -50.1 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.611 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.88 -22.47 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.778 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.47 -63.28 1.31 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.435 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -23.4 2.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.0 t -53.02 -23.84 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.73 -34.64 2.39 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.237 0.542 . . . . 0.0 110.937 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.633 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.6 m -84.53 120.02 25.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.234 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.71 36.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.187 -0.911 . . . . 1.0 110.897 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.8 0.333 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.731 HG12 HG22 ' A' ' 16' ' ' VAL . 12.3 p -57.4 -29.77 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -60.08 -31.04 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.43 22.27 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.313 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.3 t -74.0 136.44 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.04 19.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.625 HD12 ' SG ' ' A' ' 23' ' ' CYS . 2.4 mt -70.22 131.53 88.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.017 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.33 136.73 16.18 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.54 2.16 . . . . 0.0 112.278 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 57.77 29.4 17.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.23 -46.04 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 140.36 58.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.3 -24.95 14.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.72 35.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.134 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.37 58.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -136.7 98.37 3.77 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.46 0.647 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.731 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -43.12 -41.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.452 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.09 -49.62 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.03 -22.66 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.683 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.32 -63.36 1.3 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.436 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 ttt -50.07 -23.51 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 14.2 t -53.0 -23.85 8.22 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.62 -34.67 2.41 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.0 111.004 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.625 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 m -84.5 121.3 27.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.274 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.79 36.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.1 tttm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.166 -0.921 . . . . 1.0 110.999 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.478 ' H ' HG22 ' A' ' 16' ' ' VAL . 12.9 p -58.3 -29.8 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 m -61.47 -32.79 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.93 20.27 19.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 42.3 t -76.04 137.97 40.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.49 -22.84 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.595 HD12 ' SG ' ' A' ' 23' ' ' CYS . 1.8 mt -69.89 133.62 88.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.04 135.24 13.73 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.554 2.169 . . . . 0.0 112.339 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.86 29.57 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.14 -45.89 86.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.18 150.07 39.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.61 -26.17 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.259 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.73 35.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.49 58.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.466 ' OD1' ' HB3' ' A' ' 17' ' ' ALA . 48.8 t-20 -139.22 99.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 2' ' ' VAL . 2.2 t -44.13 -39.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.408 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -55.91 -50.49 70.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.37 -22.72 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.4 t60 -89.53 -63.45 1.28 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.419 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.8 ttt -49.87 -23.72 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.9 t -52.67 -24.16 8.01 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -126.53 -34.35 2.46 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.185 0.516 . . . . 0.0 110.987 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.595 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.7 m -84.86 118.3 24.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.191 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.73 36.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.296 -0.859 . . . . 1.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.825 0.345 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.476 HG12 HG22 ' A' ' 16' ' ' VAL . 11.9 p -59.21 -30.03 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -60.58 -32.95 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.28 27.34 9.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 37.3 t -76.22 143.4 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.13 -22.05 13.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.87 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.1 mt -64.52 138.45 97.45 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.65 132.61 11.05 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 56.84 28.75 14.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.8 -46.85 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.2 106.61 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.32 -29.46 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.96 35.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.83 58.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -138.02 98.74 3.71 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.506 0.669 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -44.42 -44.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.43 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.86 -49.69 72.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.763 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 21' ' ' THR . . . -61.58 -22.26 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.733 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.5 t60 -89.56 -63.31 1.3 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.493 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.0 ttm -49.74 -23.7 1.94 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.5 t -53.93 -23.47 13.05 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -126.47 -34.14 2.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.147 0.498 . . . . 0.0 111.04 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.87 ' SG ' HD12 ' A' ' 7' ' ' LEU . 6.0 m -85.47 102.51 13.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.179 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.16 59.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.238 -0.886 . . . . 1.0 110.871 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.81 0.338 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.601 HG12 HG22 ' A' ' 16' ' ' VAL . 12.1 p -58.51 -29.3 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -31.55 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.16 26.8 9.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 15.8 t -68.72 138.19 54.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.69 -27.24 18.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.881 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.9 mt -68.3 150.98 97.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.6 124.14 9.57 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.535 2.157 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.05 -76.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.43 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.15 136.25 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.98 23.44 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.311 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.31 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.5 60.53 3.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.331 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -129.57 94.94 3.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.501 0.667 . . . . 0.0 110.971 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.601 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -50.03 -42.05 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.295 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.61 -51.35 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.599 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.96 -22.5 62.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.759 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.3 t60 -89.62 -63.85 1.23 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.481 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -49.4 -23.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.2 t -52.48 -23.83 6.9 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.93 -35.26 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.263 0.554 . . . . 0.0 111.034 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.881 ' SG ' HD12 ' A' ' 7' ' ' LEU . 7.8 m -83.67 -175.6 5.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.165 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.64 65.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.874 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.723 HG12 HG22 ' A' ' 16' ' ' VAL . 14.3 p -60.31 -30.35 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.52 -39.93 92.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.36 25.77 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 15.0 t -65.66 138.79 58.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.68 -27.66 17.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.881 HD12 ' SG ' ' A' ' 23' ' ' CYS . 12.3 mt -67.73 151.11 97.46 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.23 124.25 9.83 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.574 2.182 . . . . 0.0 112.246 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm 64.9 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.38 -75.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.09 140.76 33.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.28 23.19 9.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.359 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.26 33.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.344 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 49.51 60.47 3.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.74 95.9 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 HG12 ' A' ' 2' ' ' VAL . 2.2 t -50.08 -40.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.227 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.74 -51.24 66.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 21' ' ' THR . . . -59.7 -22.76 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.593 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 4.2 t60 -89.64 -63.97 1.21 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.404 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -23.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 18' ' ' ALA . 13.1 t -52.42 -23.77 6.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.6 OUTLIER -126.97 -35.31 2.28 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.235 0.54 . . . . 0.0 111.034 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.881 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.5 m -83.38 101.78 11.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.249 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.71 32.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.951 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_