data_1ul2_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 1ul2 _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 ' 2' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.985 0.422 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.45 -25.26 6.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 m -74.14 -5.24 40.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.421 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.6 m-70 -99.83 140.34 21.48 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.669 0.271 . . . . 0.0 110.968 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.81 -30.58 85.55 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.562 2.174 . . . . 0.0 112.259 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.4 67.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.23 -62.17 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.98 -25.43 29.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.01 -52.43 46.87 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -99.9 -4.85 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 111.216 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.677 ' HA ' HG13 ' A' ' 15' ' ' ILE . 2.9 m-80 -99.81 27.26 5.56 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.236 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -53.06 -36.05 60.21 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.176 0.512 . . . . 0.0 110.222 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -108.27 -29.74 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.169 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.677 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.5 mt -59.53 -56.35 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.817 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.876 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.61 -25.23 10.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.262 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t -70.75 -9.26 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.8 139.35 20.75 Favored Pre-proline 0 N--CA 1.456 -0.14 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.046 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.9 -21.56 49.82 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.158 . . . . 0.0 112.386 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.45 15.81 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.611 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.71 -41.6 2.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.357 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.47 58.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.75 -43.69 60.25 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -99.78 -22.92 15.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.817 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.622 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.6 m-80 -99.82 21.8 12.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.214 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -53.0 -39.03 62.8 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.219 0.533 . . . . 0.0 110.043 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -101.85 -29.94 11.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.4 mt -64.28 -53.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.78 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.939 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.964 0.412 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.76 -23.39 42.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -11.39 60.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.389 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.74 151.53 37.5 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.23 -26.94 20.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.38 61.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.7 -44.24 51.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 4.66 33.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.587 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.52 -45.28 8.76 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.583 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -99.94 -25.73 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.94 42.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.751 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -63.47 -31.46 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.4 ' CE1' HG12 ' A' ' 15' ' ' ILE . 12.7 p80 -77.99 -33.9 51.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.4 HG12 ' CE1' ' A' ' 14' ' ' HIS . 1.2 mm -63.72 -63.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.395 0.616 . . . . 0.0 110.642 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.892 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.5 t . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -57.76 -22.37 46.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -68.69 -11.22 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.359 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.75 149.9 36.34 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.726 0.298 . . . . 0.0 111.028 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.59 -27.35 18.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.71 -66.09 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -28.0 68.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.67 -45.27 78.8 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.679 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -99.96 -29.67 12.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.512 ' CA ' HG13 ' A' ' 15' ' ' ILE . 7.9 m-80 -99.88 29.0 4.39 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -41.99 73.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -69.23 -31.01 69.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.818 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.512 HG13 ' CA ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -65.71 -55.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.91 0.386 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.27 -23.6 15.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -72.43 -7.01 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.478 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.3 m-70 -99.81 147.56 33.6 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 110.953 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.04 -26.24 15.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.589 2.193 . . . . 0.0 112.417 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.24 17.03 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.467 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.68 -65.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.398 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -28.71 67.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.053 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.36 -37.4 91.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -99.96 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.02 38.1 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -60.58 -40.0 90.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -72.27 -34.29 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -63.78 -63.54 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.09 -22.7 41.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -67.27 -12.37 59.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.344 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.82 151.76 37.59 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.972 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.7 -27.33 18.41 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.35 61.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -70.18 -56.06 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -28.1 59.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.16 -47.48 80.99 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -99.95 -11.47 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.666 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.72 27.49 5.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -52.6 -37.48 58.26 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.249 0.547 . . . . 0.0 110.18 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -107.4 -29.71 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.058 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.666 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.2 mt -59.73 -54.97 27.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.746 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.0 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.816 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.899 0.38 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.2 m -54.28 -23.79 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.237 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 t -71.64 -8.35 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.502 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.85 132.04 23.56 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.559 0.219 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.51 -27.33 49.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.383 2.055 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.11 -33.52 59.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.31 -65.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.5 -23.44 26.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.364 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.95 -53.67 29.16 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -99.96 -4.22 30.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.639 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.78 28.98 4.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -52.38 -38.89 60.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.058 0.456 . . . . 0.0 110.255 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -107.61 -29.96 8.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.183 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.639 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.8 mt -56.6 -57.8 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.848 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.942 0.401 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.8 -23.01 27.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 -8.63 54.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.2 m-70 -99.79 148.81 35.29 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.939 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.06 -27.66 20.09 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.03 -31.15 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.19 -64.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.22 -25.27 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.11 58.09 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.539 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -99.94 -16.97 17.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.621 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.76 26.94 5.77 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -50.52 -40.79 52.47 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.242 0.544 . . . . 0.0 110.09 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -105.8 -29.79 9.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.975 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.621 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.6 mt -60.19 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.866 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.7 m -50.1 -27.1 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.329 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -67.32 -12.26 59.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.055 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.2 m-70 -99.94 155.77 36.07 Favored Pre-proline 0 N--CA 1.455 -0.198 0 CA-C-O 120.802 0.334 . . . . 0.0 111.002 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.71 -20.57 13.48 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.756 2.304 . . . . 0.0 112.583 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.6 -44.14 16.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 111.398 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.5 m -59.67 -41.58 90.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.6 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.78 -38.93 65.71 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -99.85 -26.26 14.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.631 ' HA ' HG13 ' A' ' 15' ' ' ILE . 8.2 m-80 -99.72 27.25 5.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.55 -38.89 60.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.153 0.501 . . . . 0.0 110.141 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -21.53 12.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.235 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.631 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.4 mt -69.77 -49.86 54.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.841 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.917 0.389 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.68 -24.5 14.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 m -69.2 -10.39 57.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.353 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.5 m-70 -99.84 135.67 20.42 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.614 0.245 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.32 -27.74 49.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.554 2.169 . . . . 0.0 112.204 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.71 65.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -55.08 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.008 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.36 67.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.45 -44.98 93.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -100.0 10.77 40.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.756 0.312 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.611 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.8 m-80 -138.01 26.37 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.2 -47.05 72.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.126 0.489 . . . . 0.0 110.578 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -97.93 -18.68 18.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.402 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.611 HG13 ' HA ' ' A' ' 12' ' ' ASN . 2.5 mt -75.15 -44.53 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.843 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -24.13 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.268 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -67.56 -11.75 58.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.277 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.6 m-70 -99.78 139.08 20.55 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.643 0.259 . . . . 0.0 111.023 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.69 -29.59 80.61 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 0.0 112.253 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.44 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -36.4 62.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.28 -25.41 59.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.79 59.48 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.606 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -99.85 -13.83 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.645 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.76 29.28 4.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -38.42 63.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.156 0.503 . . . . 0.0 110.099 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -106.3 -29.58 9.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.131 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.645 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.0 mt -59.04 -55.89 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.811 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -22.38 27.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 m -61.78 -15.89 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.299 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.3 m-70 -99.85 147.48 33.49 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.744 0.306 . . . . 0.0 111.058 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 31.7 Cg_exo -61.22 -32.5 90.63 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.31 80.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.266 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.47 -33.68 58.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.42 38.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.43 -26.48 72.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -99.93 -32.01 11.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -108.26 45.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -59.24 -53.18 61.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.062 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -57.7 -33.2 68.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.81 -63.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.334 0.588 . . . . 0.0 110.738 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.95 -24.95 18.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.208 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.7 t -71.22 -9.02 57.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.3 m-70 -99.9 154.43 37.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.693 0.282 . . . . 0.0 110.961 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.18 24.45 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.609 2.206 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -32.01 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 -47.23 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.64 -23.68 59.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.42 -46.53 45.15 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.723 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.9 -16.53 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.664 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.69 25.19 7.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -32.73 39.96 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.091 0.472 . . . . 0.0 110.158 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -111.38 -30.36 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.026 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.664 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.1 mt -60.99 -51.69 70.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.643 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.933 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.968 0.413 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -49.99 -27.23 5.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.396 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -12.29 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.047 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.3 m-70 -100.09 155.71 36.11 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.842 0.353 . . . . 0.0 110.968 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.67 -21.21 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.654 2.236 . . . . 0.0 112.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.96 -43.88 17.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.341 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 m -59.98 -50.1 75.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.3 -28.48 65.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.44 -47.72 86.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.361 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.91 8.05 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 111.037 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.68 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -122.08 24.98 9.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -37.62 51.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.113 0.483 . . . . 0.0 110.296 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -106.28 -29.93 9.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.086 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.68 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -60.05 -56.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.835 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.919 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.98 -24.92 10.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.219 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 m -69.61 -9.91 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.356 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.6 m-70 -99.77 134.62 20.9 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.643 0.259 . . . . 0.0 110.952 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.72 -22.36 28.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.541 2.161 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 17.34 11.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.597 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -127.08 -48.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.86 68.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.34 -26.48 67.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -99.98 -34.34 10.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -104.12 39.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -58.5 -43.23 89.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -65.4 -33.95 77.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mm -65.68 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.428 0.632 . . . . 0.0 110.604 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.812 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -22.85 37.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -9.61 56.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.354 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.9 m-70 -99.85 147.36 33.33 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.55 -27.54 12.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.603 2.202 . . . . 0.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.75 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.4 t -70.04 -34.39 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.8 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -32.13 83.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -100.0 -31.62 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.758 0.313 . . . . 0.0 110.77 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -105.45 45.62 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.724 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.06 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -54.73 -31.75 58.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.49 -64.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.354 0.597 . . . . 0.0 110.698 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.32 -22.54 42.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.227 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -67.77 -12.15 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.358 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.89 152.49 37.83 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -27.48 19.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.606 2.204 . . . . 0.0 112.365 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.07 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -74.21 -36.28 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.98 53.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.89 -39.81 69.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.607 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -99.88 -20.17 16.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.631 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.64 29.09 4.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 13.6 mt-30 -53.42 -39.65 64.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.128 0.49 . . . . 0.0 110.25 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 14' ' ' HIS . 0.5 OUTLIER -109.15 -16.8 14.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.398 179.179 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.631 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.2 mt -73.55 -50.13 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.209 0.528 . . . . 0.0 110.757 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.2 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.7 m -54.75 -23.81 19.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.207 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -71.54 -8.25 52.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.405 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.8 m-70 -99.84 154.43 37.25 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 110.99 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.64 -22.21 28.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.588 2.192 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.48 16.97 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.516 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -127.93 -66.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.32 -28.72 59.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.87 -41.85 84.82 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.376 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -99.89 -17.9 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.337 . . . . 0.0 110.811 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.63 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.73 24.16 8.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -37.31 58.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.097 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -105.1 -29.64 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.006 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.63 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.3 mt -62.33 -55.64 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.886 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.949 0.404 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -25.02 8.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.323 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -72.63 -7.16 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.1 m-70 -99.94 139.83 21.07 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.644 0.259 . . . . 0.0 110.944 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.84 -31.0 87.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.486 2.124 . . . . 0.0 112.306 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.87 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -31.57 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.19 -23.24 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.221 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.48 -44.33 59.0 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.634 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 111.031 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.62 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.72 30.61 3.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.229 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -55.23 -38.68 68.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.18 0.514 . . . . 0.0 110.152 179.465 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -108.07 -21.74 12.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.291 179.14 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.62 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.4 mt -67.66 -52.35 41.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.688 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -25.16 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.26 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m -62.82 -15.95 56.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.3 m-70 -99.86 154.82 37.05 Favored Pre-proline 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.363 . . . . 0.0 111.032 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.47 -25.44 29.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.416 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.76 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -31.12 55.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.99 -25.18 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.245 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.91 -43.54 71.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -99.94 9.51 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.656 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -131.71 23.38 4.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.41 -41.03 51.67 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.186 0.517 . . . . 0.0 110.34 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -102.98 -29.38 11.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.999 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.656 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -61.75 -56.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.902 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' CD2' ' A' ' 5' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.2 t -77.83 -43.19 31.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.985 0.422 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.45 -25.26 6.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 m -74.14 -5.24 40.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.421 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.6 m-70 -99.83 140.34 21.48 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.669 0.271 . . . . 0.0 110.968 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.81 -30.58 85.55 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.562 2.174 . . . . 0.0 112.259 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.4 67.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.23 -62.17 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.98 -25.43 29.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.01 -52.43 46.87 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -99.9 -4.85 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 111.216 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.677 ' HA ' HG13 ' A' ' 15' ' ' ILE . 2.9 m-80 -99.81 27.26 5.56 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.236 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -53.06 -36.05 60.21 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.176 0.512 . . . . 0.0 110.222 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -108.27 -29.74 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.169 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.677 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.5 mt -59.53 -56.35 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.817 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 t -84.78 -62.01 1.65 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.066 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 5' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 t -80.55 -43.99 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.61 -25.23 10.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.262 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t -70.75 -9.26 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.8 139.35 20.75 Favored Pre-proline 0 N--CA 1.456 -0.14 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.046 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.9 -21.56 49.82 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.158 . . . . 0.0 112.386 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.45 15.81 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.611 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.71 -41.6 2.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.357 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.47 58.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.75 -43.69 60.25 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -99.78 -22.92 15.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.817 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.622 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.6 m-80 -99.82 21.8 12.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.214 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -53.0 -39.03 62.8 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.219 0.533 . . . . 0.0 110.043 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -101.85 -29.94 11.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.4 mt -64.28 -53.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.78 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 t -60.09 -49.54 77.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 122.09 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.25 -43.1 43.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.964 0.412 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.76 -23.39 42.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -11.39 60.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.389 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.74 151.53 37.5 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.23 -26.94 20.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.38 61.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.7 -44.24 51.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 4.66 33.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.587 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.52 -45.28 8.76 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.583 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -99.94 -25.73 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.94 42.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.751 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -63.47 -31.46 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.4 ' CE1' HG12 ' A' ' 15' ' ' ILE . 12.7 p80 -77.99 -33.9 51.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.4 HG12 ' CE1' ' A' ' 14' ' ' HIS . 1.2 mm -63.72 -63.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.395 0.616 . . . . 0.0 110.642 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.58 -15.48 61.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 121.966 -0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.5 t -74.92 -43.11 56.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -57.76 -22.37 46.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -68.69 -11.22 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.359 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.75 149.9 36.34 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.726 0.298 . . . . 0.0 111.028 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.59 -27.35 18.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.71 -66.09 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -28.0 68.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.67 -45.27 78.8 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.679 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -99.96 -29.67 12.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.512 ' CA ' HG13 ' A' ' 15' ' ' ILE . 7.9 m-80 -99.88 29.0 4.39 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -41.99 73.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -69.23 -31.01 69.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.818 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.512 HG13 ' CA ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -65.71 -55.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.57 133.39 54.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.044 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.99 -42.44 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.27 -23.6 15.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -72.43 -7.01 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.478 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.3 m-70 -99.81 147.56 33.6 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 110.953 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.04 -26.24 15.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.589 2.193 . . . . 0.0 112.417 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.24 17.03 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.467 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.68 -65.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.398 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -28.71 67.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.053 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.36 -37.4 91.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -99.96 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.02 38.1 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -60.58 -40.0 90.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -72.27 -34.29 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -63.78 -63.54 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 165.28 5.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 122.0 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.8 t -60.26 -43.33 96.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.09 -22.7 41.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -67.27 -12.37 59.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.344 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.82 151.76 37.59 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.972 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.7 -27.33 18.41 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.35 61.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -70.18 -56.06 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -28.1 59.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.16 -47.48 80.99 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -99.95 -11.47 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.666 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.72 27.49 5.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -52.6 -37.48 58.26 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.249 0.547 . . . . 0.0 110.18 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -107.4 -29.71 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.058 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.666 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.2 mt -59.73 -54.97 27.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.746 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.0 t -88.22 -50.3 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.114 -0.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.52 -42.79 61.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.2 m -54.28 -23.79 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.237 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 t -71.64 -8.35 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.502 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.85 132.04 23.56 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.559 0.219 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.51 -27.33 49.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.383 2.055 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.11 -33.52 59.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.31 -65.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.5 -23.44 26.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.364 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.95 -53.67 29.16 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -99.96 -4.22 30.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.639 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.78 28.98 4.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -52.38 -38.89 60.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.058 0.456 . . . . 0.0 110.255 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -107.61 -29.96 8.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.183 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.639 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.8 mt -56.6 -57.8 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.8 t -87.37 -55.54 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.027 -0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.8 t -73.69 -42.52 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.8 -23.01 27.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 -8.63 54.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.2 m-70 -99.79 148.81 35.29 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.939 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.06 -27.66 20.09 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.03 -31.15 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.19 -64.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.22 -25.27 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.11 58.09 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.539 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -99.94 -16.97 17.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.621 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.76 26.94 5.77 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -50.52 -40.79 52.47 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.242 0.544 . . . . 0.0 110.09 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -105.8 -29.79 9.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.975 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.621 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.6 mt -60.19 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.6 t -92.13 -45.32 8.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 122.023 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -45.15 68.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.7 m -50.1 -27.1 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.329 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -67.32 -12.26 59.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.055 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.2 m-70 -99.94 155.77 36.07 Favored Pre-proline 0 N--CA 1.455 -0.198 0 CA-C-O 120.802 0.334 . . . . 0.0 111.002 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.71 -20.57 13.48 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.756 2.304 . . . . 0.0 112.583 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.6 -44.14 16.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 111.398 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.5 m -59.67 -41.58 90.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.6 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.78 -38.93 65.71 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -99.85 -26.26 14.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.631 ' HA ' HG13 ' A' ' 15' ' ' ILE . 8.2 m-80 -99.72 27.25 5.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.55 -38.89 60.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.153 0.501 . . . . 0.0 110.141 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -21.53 12.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.235 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.631 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.4 mt -69.77 -49.86 54.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -75.08 -22.84 58.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t -61.67 -43.18 99.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 110.807 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.68 -24.5 14.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 m -69.2 -10.39 57.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.353 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.44 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.5 m-70 -99.84 135.67 20.42 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.614 0.245 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.32 -27.74 49.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.554 2.169 . . . . 0.0 112.204 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.71 65.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -55.08 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.008 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.36 67.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.45 -44.98 93.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -100.0 10.77 40.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.756 0.312 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.611 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.8 m-80 -138.01 26.37 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.2 -47.05 72.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.126 0.489 . . . . 0.0 110.578 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -97.93 -18.68 18.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.402 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.611 HG13 ' HA ' ' A' ' 12' ' ' ASN . 2.5 mt -75.15 -44.53 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.13 -49.83 68.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 122.117 -0.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.233 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.2 t -69.54 -43.41 73.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -24.13 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.268 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -67.56 -11.75 58.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.277 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.6 m-70 -99.78 139.08 20.55 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.643 0.259 . . . . 0.0 111.023 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.69 -29.59 80.61 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 0.0 112.253 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.44 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -36.4 62.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.28 -25.41 59.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.79 59.48 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.606 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -99.85 -13.83 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.645 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.76 29.28 4.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -38.42 63.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.156 0.503 . . . . 0.0 110.099 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -106.3 -29.58 9.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.131 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.645 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.0 mt -59.04 -55.89 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.811 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -67.67 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.048 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.5 t -81.55 -43.63 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -22.38 27.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 m -61.78 -15.89 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.299 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.3 m-70 -99.85 147.48 33.49 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.744 0.306 . . . . 0.0 111.058 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 31.7 Cg_exo -61.22 -32.5 90.63 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.31 80.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.266 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.47 -33.68 58.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.42 38.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.43 -26.48 72.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -99.93 -32.01 11.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -108.26 45.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -59.24 -53.18 61.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.062 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -57.7 -33.2 68.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.81 -63.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.334 0.588 . . . . 0.0 110.738 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.37 -8.06 47.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.077 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.5 t -79.8 -42.49 24.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.95 -24.95 18.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.208 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.7 t -71.22 -9.02 57.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.3 m-70 -99.9 154.43 37.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.693 0.282 . . . . 0.0 110.961 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.18 24.45 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.609 2.206 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -32.01 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 -47.23 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.64 -23.68 59.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.42 -46.53 45.15 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.723 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.9 -16.53 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.664 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.69 25.19 7.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -32.73 39.96 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.091 0.472 . . . . 0.0 110.158 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -111.38 -30.36 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.026 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.664 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.1 mt -60.99 -51.69 70.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.643 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.2 t -83.2 137.17 34.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 O-C-N 122.088 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -45.03 79.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.968 0.413 . . . . 0.0 110.836 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -49.99 -27.23 5.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.396 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -12.29 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.047 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.3 m-70 -100.09 155.71 36.11 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.842 0.353 . . . . 0.0 110.968 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.67 -21.21 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.654 2.236 . . . . 0.0 112.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.96 -43.88 17.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.341 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 m -59.98 -50.1 75.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.3 -28.48 65.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.44 -47.72 86.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.361 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.91 8.05 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 111.037 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.68 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -122.08 24.98 9.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -37.62 51.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.113 0.483 . . . . 0.0 110.296 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -106.28 -29.93 9.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.086 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.68 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -60.05 -56.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.835 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.74 105.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 122.025 -0.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.6 t -78.61 -43.79 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.98 -24.92 10.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.219 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 m -69.61 -9.91 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.356 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.6 m-70 -99.77 134.62 20.9 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.643 0.259 . . . . 0.0 110.952 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.72 -22.36 28.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.541 2.161 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 17.34 11.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.597 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -127.08 -48.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.86 68.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.34 -26.48 67.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -99.98 -34.34 10.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -104.12 39.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' NH2 . 16.0 pt20 -58.5 -43.23 89.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -65.4 -33.95 77.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mm -65.68 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.428 0.632 . . . . 0.0 110.604 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -75.6 -56.6 4.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.812 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 122.051 -0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.09 -42.83 46.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -22.85 37.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -9.61 56.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.354 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.9 m-70 -99.85 147.36 33.33 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.55 -27.54 12.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.603 2.202 . . . . 0.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.75 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.4 t -70.04 -34.39 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.8 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -32.13 83.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -100.0 -31.62 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.758 0.313 . . . . 0.0 110.77 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -105.45 45.62 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.724 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.06 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -54.73 -31.75 58.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -62.49 -64.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.354 0.597 . . . . 0.0 110.698 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -18.14 63.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.087 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.44 -43.21 17.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.32 -22.54 42.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.227 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -67.77 -12.15 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.358 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.89 152.49 37.83 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -27.48 19.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.606 2.204 . . . . 0.0 112.365 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.07 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -74.21 -36.28 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.98 53.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.89 -39.81 69.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.607 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -99.88 -20.17 16.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.631 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.64 29.09 4.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 13.6 mt-30 -53.42 -39.65 64.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.128 0.49 . . . . 0.0 110.25 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 14' ' ' HIS . 0.5 OUTLIER -109.15 -16.8 14.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.398 179.179 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.631 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.2 mt -73.55 -50.13 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.209 0.528 . . . . 0.0 110.757 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 105.97 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 122.074 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 5' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.2 t -80.29 -43.52 21.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.7 m -54.75 -23.81 19.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.207 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -71.54 -8.25 52.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.405 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.8 m-70 -99.84 154.43 37.25 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 110.99 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.64 -22.21 28.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.588 2.192 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.48 16.97 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.516 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -127.93 -66.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.32 -28.72 59.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.87 -41.85 84.82 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.376 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -99.89 -17.9 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.337 . . . . 0.0 110.811 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.63 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.73 24.16 8.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -37.31 58.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.097 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -105.1 -29.64 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.006 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.63 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.3 mt -62.33 -55.64 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.58 -57.6 10.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 122.024 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 5' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.1 t -85.07 -43.52 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -25.02 8.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.323 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -72.63 -7.16 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.1 m-70 -99.94 139.83 21.07 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.644 0.259 . . . . 0.0 110.944 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -56.84 -31.0 87.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.486 2.124 . . . . 0.0 112.306 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.87 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -31.57 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.19 -23.24 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.221 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.48 -44.33 59.0 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.634 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 111.031 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.62 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.72 30.61 3.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.229 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -55.23 -38.68 68.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.18 0.514 . . . . 0.0 110.152 179.465 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -108.07 -21.74 12.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.291 179.14 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.62 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.4 mt -67.66 -52.35 41.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.688 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.97 164.93 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 O-C-N 122.098 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.5 t -77.25 -42.35 37.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -25.16 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.26 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m -62.82 -15.95 56.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.3 m-70 -99.86 154.82 37.05 Favored Pre-proline 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.363 . . . . 0.0 111.032 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.47 -25.44 29.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.416 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.76 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -31.12 55.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.99 -25.18 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.245 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.91 -43.54 71.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -99.94 9.51 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.656 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -131.71 23.38 4.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.41 -41.03 51.67 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.186 0.517 . . . . 0.0 110.34 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -102.98 -29.38 11.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.999 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.656 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -61.75 -56.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.86 -21.68 64.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.073 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.985 0.422 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.45 -25.26 6.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 m -74.14 -5.24 40.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -99.83 140.34 21.48 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.669 0.271 . . . . 0.0 110.968 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.81 -30.58 85.55 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.562 2.174 . . . . 0.0 112.259 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.4 67.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.23 -62.17 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.98 -25.43 29.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.01 -52.43 46.87 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -99.9 -4.85 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 111.216 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.684 ' HA ' HG13 ' A' ' 15' ' ' ILE . 2.9 m-80 -99.81 27.26 5.56 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.236 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -53.06 -36.05 60.21 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.176 0.512 . . . . 0.0 110.222 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -108.27 -29.74 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.169 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.684 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.5 mt -59.53 -56.35 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.817 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.876 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.61 -25.23 10.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.262 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t -70.75 -9.26 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.1 m80 -99.8 139.35 20.75 Favored Pre-proline 0 N--CA 1.456 -0.14 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.046 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 32.2 Cg_exo -57.9 -21.56 49.82 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.158 . . . . 0.0 112.386 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.45 15.81 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.611 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.71 -41.6 2.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.357 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.47 58.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.75 -43.69 60.25 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -99.78 -22.92 15.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.817 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.628 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.6 m-80 -99.82 21.8 12.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.214 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -53.0 -39.03 62.8 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.219 0.533 . . . . 0.0 110.043 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -101.85 -29.94 11.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.628 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.4 mt -64.28 -53.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.78 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.939 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.964 0.412 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.76 -23.39 42.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -11.39 60.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.389 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.74 151.53 37.5 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.23 -26.94 20.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.38 61.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.7 -44.24 51.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 4.66 33.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.587 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.52 -45.28 8.76 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.583 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -99.94 -25.73 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.94 42.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.751 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -63.47 -31.46 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -77.99 -33.9 51.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -63.72 -63.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.395 0.616 . . . . 0.0 110.642 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.892 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.5 t . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -57.76 -22.37 46.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -68.69 -11.22 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.359 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.75 149.9 36.34 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.726 0.298 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.59 -27.35 18.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.71 -66.09 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -28.0 68.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.67 -45.27 78.8 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.679 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -99.96 -29.67 12.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.536 ' OD1' HD12 ' A' ' 15' ' ' ILE . 7.9 m-80 -99.88 29.0 4.39 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -41.99 73.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -69.23 -31.01 69.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.818 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' OD1' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -65.71 -55.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.91 0.386 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.27 -23.6 15.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -72.43 -7.01 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.478 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.81 147.56 33.6 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 110.953 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.04 -26.24 15.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.589 2.193 . . . . 0.0 112.417 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.24 17.03 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.467 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.68 -65.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.398 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -28.71 67.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.053 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.36 -37.4 91.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -99.96 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.02 38.1 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -60.58 -40.0 90.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -72.27 -34.29 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -63.78 -63.54 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.09 -22.7 41.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -67.27 -12.37 59.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.344 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.82 151.76 37.59 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.972 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.7 -27.33 18.41 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.35 61.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -70.18 -56.06 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -28.1 59.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.16 -47.48 80.99 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -99.95 -11.47 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.672 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.72 27.49 5.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -52.6 -37.48 58.26 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.249 0.547 . . . . 0.0 110.18 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -107.4 -29.71 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.058 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.672 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.2 mt -59.73 -54.97 27.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.746 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.0 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.816 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.899 0.38 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.2 m -54.28 -23.79 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.237 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 t -71.64 -8.35 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.502 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -99.85 132.04 23.56 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.559 0.219 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.51 -27.33 49.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.383 2.055 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.11 -33.52 59.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.31 -65.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.5 -23.44 26.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.364 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.95 -53.67 29.16 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -99.96 -4.22 30.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.645 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.78 28.98 4.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -52.38 -38.89 60.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.058 0.456 . . . . 0.0 110.255 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -107.61 -29.96 8.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.183 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.645 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.8 mt -56.6 -57.8 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.848 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.942 0.401 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.8 -23.01 27.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 -8.63 54.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.79 148.81 35.29 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.939 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.06 -27.66 20.09 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.03 -31.15 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.19 -64.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.22 -25.27 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.11 58.09 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.539 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -99.94 -16.97 17.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.63 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.76 26.94 5.77 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -50.52 -40.79 52.47 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.242 0.544 . . . . 0.0 110.09 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -105.8 -29.79 9.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.975 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.63 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.6 mt -60.19 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.866 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.7 m -50.1 -27.1 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.329 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -67.32 -12.26 59.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.055 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.94 155.77 36.07 Favored Pre-proline 0 N--CA 1.455 -0.198 0 CA-C-O 120.802 0.334 . . . . 0.0 111.002 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.71 -20.57 13.48 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.756 2.304 . . . . 0.0 112.583 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.6 -44.14 16.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 111.398 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.5 m -59.67 -41.58 90.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.6 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.78 -38.93 65.71 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -99.85 -26.26 14.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 15' ' ' ILE . 8.2 m-80 -99.72 27.25 5.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.55 -38.89 60.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.153 0.501 . . . . 0.0 110.141 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -21.53 12.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.235 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.635 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.4 mt -69.77 -49.86 54.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.841 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.917 0.389 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.68 -24.5 14.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 m -69.2 -10.39 57.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.353 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -99.84 135.67 20.42 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.614 0.245 . . . . 0.0 110.911 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 51.9 Cg_exo -54.32 -27.74 49.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.554 2.169 . . . . 0.0 112.204 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.71 65.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -55.08 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.008 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.36 67.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.45 -44.98 93.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -100.0 10.77 40.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.756 0.312 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.623 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.8 m-80 -138.01 26.37 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.2 -47.05 72.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.126 0.489 . . . . 0.0 110.578 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -18.68 18.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.402 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.623 HG13 ' HA ' ' A' ' 12' ' ' ASN . 2.5 mt -75.15 -44.53 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.843 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -24.13 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.268 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -67.56 -11.75 58.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.277 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -99.78 139.08 20.55 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.643 0.259 . . . . 0.0 111.023 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.69 -29.59 80.61 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 0.0 112.253 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.44 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -36.4 62.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.28 -25.41 59.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.79 59.48 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.606 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -99.85 -13.83 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.647 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.76 29.28 4.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -38.42 63.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.156 0.503 . . . . 0.0 110.099 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -106.3 -29.58 9.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.131 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.647 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.0 mt -59.04 -55.89 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.811 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -22.38 27.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 m -61.78 -15.89 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.299 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -99.85 147.48 33.49 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.744 0.306 . . . . 0.0 111.058 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 31.7 Cg_exo -61.22 -32.5 90.63 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.31 80.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.266 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.47 -33.68 58.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.42 38.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.43 -26.48 72.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -99.93 -32.01 11.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.406 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 2.9 m-80 -108.26 45.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -59.24 -53.18 61.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.062 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -57.7 -33.2 68.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.406 ' HB ' ' HB3' ' A' ' 12' ' ' ASN . 1.2 mm -64.81 -63.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.334 0.588 . . . . 0.0 110.738 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.95 -24.95 18.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.208 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.7 t -71.22 -9.02 57.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -99.9 154.43 37.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.693 0.282 . . . . 0.0 110.961 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.18 24.45 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.609 2.206 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -32.01 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 -47.23 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.64 -23.68 59.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.42 -46.53 45.15 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.723 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.9 -16.53 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.673 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.69 25.19 7.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -32.73 39.96 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.091 0.472 . . . . 0.0 110.158 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -111.38 -30.36 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.026 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.1 mt -60.99 -51.69 70.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.643 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.933 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.968 0.413 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -49.99 -27.23 5.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.396 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -12.29 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.047 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -100.09 155.71 36.11 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.842 0.353 . . . . 0.0 110.968 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.67 -21.21 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.654 2.236 . . . . 0.0 112.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.96 -43.88 17.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.341 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 m -59.98 -50.1 75.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.3 -28.48 65.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.44 -47.72 86.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.361 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.91 8.05 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 111.037 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.682 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -122.08 24.98 9.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -37.62 51.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.113 0.483 . . . . 0.0 110.296 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -106.28 -29.93 9.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.086 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.682 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -60.05 -56.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.835 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.919 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.98 -24.92 10.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.219 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 m -69.61 -9.91 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.356 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.77 134.62 20.9 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.643 0.259 . . . . 0.0 110.952 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.72 -22.36 28.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.541 2.161 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 17.34 11.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.597 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -127.08 -48.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.86 68.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.34 -26.48 67.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -99.98 -34.34 10.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -104.12 39.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -58.5 -43.23 89.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -65.4 -33.95 77.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mm -65.68 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.428 0.632 . . . . 0.0 110.604 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.812 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -22.85 37.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -9.61 56.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.354 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.85 147.36 33.33 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.55 -27.54 12.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.603 2.202 . . . . 0.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.75 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.4 t -70.04 -34.39 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.8 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -32.13 83.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -100.0 -31.62 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.758 0.313 . . . . 0.0 110.77 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 3.5 m-80 -105.45 45.62 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.724 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.06 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -54.73 -31.75 58.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 12' ' ' ASN . 1.2 mm -62.49 -64.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.354 0.597 . . . . 0.0 110.698 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.32 -22.54 42.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.227 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -67.77 -12.15 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.358 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.89 152.49 37.83 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -27.48 19.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.606 2.204 . . . . 0.0 112.365 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.07 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -74.21 -36.28 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.98 53.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.89 -39.81 69.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.607 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -99.88 -20.17 16.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.634 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.64 29.09 4.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -53.42 -39.65 64.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.128 0.49 . . . . 0.0 110.25 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.15 -16.8 14.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.398 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.2 mt -73.55 -50.13 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.209 0.528 . . . . 0.0 110.757 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.2 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 82.7 m -54.75 -23.81 19.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.207 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -71.54 -8.25 52.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.405 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -99.84 154.43 37.25 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 110.99 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.64 -22.21 28.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.588 2.192 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.48 16.97 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.516 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -127.93 -66.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 3' ' ' CYS . . . -56.32 -28.72 59.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.87 -41.85 84.82 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.376 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -99.89 -17.9 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.337 . . . . 0.0 110.811 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.643 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.73 24.16 8.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -37.31 58.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.097 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -105.1 -29.64 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.006 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.643 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.3 mt -62.33 -55.64 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.886 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.949 0.404 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -25.02 8.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.323 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -72.63 -7.16 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.2 m80 -99.94 139.83 21.07 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.644 0.259 . . . . 0.0 110.944 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 39.8 Cg_exo -56.84 -31.0 87.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.486 2.124 . . . . 0.0 112.306 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.87 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -31.57 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.19 -23.24 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.221 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.48 -44.33 59.0 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.634 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 111.031 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.631 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.72 30.61 3.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.229 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -38.68 68.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.18 0.514 . . . . 0.0 110.152 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.07 -21.74 12.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.291 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.631 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.4 mt -67.66 -52.35 41.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.688 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -25.16 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.26 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m -62.82 -15.95 56.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -99.86 154.82 37.05 Favored Pre-proline 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.363 . . . . 0.0 111.032 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.47 -25.44 29.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.416 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.76 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -31.12 55.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.99 -25.18 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.245 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.91 -43.54 71.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -99.94 9.51 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.657 ' HA ' HG13 ' A' ' 15' ' ' ILE . 7.9 m120 -131.71 23.38 4.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.41 -41.03 51.67 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.186 0.517 . . . . 0.0 110.34 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -102.98 -29.38 11.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.999 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.657 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -61.75 -56.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.902 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.2 t -77.83 -43.19 31.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.985 0.422 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.45 -25.26 6.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 m -74.14 -5.24 40.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -99.83 140.34 21.48 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.669 0.271 . . . . 0.0 110.968 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.81 -30.58 85.55 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.562 2.174 . . . . 0.0 112.259 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.4 67.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.23 -62.17 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.98 -25.43 29.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.01 -52.43 46.87 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -99.9 -4.85 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 111.216 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.684 ' HA ' HG13 ' A' ' 15' ' ' ILE . 2.9 m-80 -99.81 27.26 5.56 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.236 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -53.06 -36.05 60.21 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.176 0.512 . . . . 0.0 110.222 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -108.27 -29.74 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.169 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.684 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.5 mt -59.53 -56.35 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.817 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 t -84.78 -62.01 1.65 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.066 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 t -80.55 -43.99 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.61 -25.23 10.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.262 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t -70.75 -9.26 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.1 m80 -99.8 139.35 20.75 Favored Pre-proline 0 N--CA 1.456 -0.14 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.046 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 32.2 Cg_exo -57.9 -21.56 49.82 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.158 . . . . 0.0 112.386 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.45 15.81 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.611 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.71 -41.6 2.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.357 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.47 58.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.75 -43.69 60.25 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -99.78 -22.92 15.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.817 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.628 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.6 m-80 -99.82 21.8 12.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.214 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -53.0 -39.03 62.8 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.219 0.533 . . . . 0.0 110.043 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -101.85 -29.94 11.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.628 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.4 mt -64.28 -53.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.78 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 t -60.09 -49.54 77.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 122.09 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.25 -43.1 43.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.964 0.412 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.76 -23.39 42.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -11.39 60.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.389 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.74 151.53 37.5 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.23 -26.94 20.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.38 61.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.7 -44.24 51.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 4.66 33.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.587 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.52 -45.28 8.76 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.583 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -99.94 -25.73 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.94 42.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.751 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -63.47 -31.46 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -77.99 -33.9 51.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -63.72 -63.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.395 0.616 . . . . 0.0 110.642 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.58 -15.48 61.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 121.966 -0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.5 t -74.92 -43.11 56.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -57.76 -22.37 46.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -68.69 -11.22 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.359 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.75 149.9 36.34 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.726 0.298 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.59 -27.35 18.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.71 -66.09 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -28.0 68.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.67 -45.27 78.8 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.679 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -99.96 -29.67 12.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.536 ' OD1' HD12 ' A' ' 15' ' ' ILE . 7.9 m-80 -99.88 29.0 4.39 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -41.99 73.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -69.23 -31.01 69.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.818 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' OD1' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -65.71 -55.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.57 133.39 54.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.044 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.99 -42.44 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.27 -23.6 15.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -72.43 -7.01 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.478 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.81 147.56 33.6 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 110.953 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.04 -26.24 15.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.589 2.193 . . . . 0.0 112.417 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.24 17.03 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.467 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.68 -65.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.398 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -28.71 67.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.053 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.36 -37.4 91.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -99.96 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.02 38.1 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -60.58 -40.0 90.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -72.27 -34.29 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -63.78 -63.54 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 165.28 5.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 122.0 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.8 t -60.26 -43.33 96.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.09 -22.7 41.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -67.27 -12.37 59.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.344 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.82 151.76 37.59 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.972 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.7 -27.33 18.41 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.35 61.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -70.18 -56.06 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -28.1 59.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.16 -47.48 80.99 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -99.95 -11.47 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.672 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.72 27.49 5.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -52.6 -37.48 58.26 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.249 0.547 . . . . 0.0 110.18 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -107.4 -29.71 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.058 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.672 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.2 mt -59.73 -54.97 27.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.746 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.0 t -88.22 -50.3 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.114 -0.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.52 -42.79 61.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.2 m -54.28 -23.79 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.237 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 t -71.64 -8.35 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.502 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -99.85 132.04 23.56 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.559 0.219 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.51 -27.33 49.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.383 2.055 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.11 -33.52 59.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.31 -65.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.5 -23.44 26.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.364 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.95 -53.67 29.16 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -99.96 -4.22 30.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.645 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.78 28.98 4.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -52.38 -38.89 60.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.058 0.456 . . . . 0.0 110.255 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -107.61 -29.96 8.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.183 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.645 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.8 mt -56.6 -57.8 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.8 t -87.37 -55.54 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.027 -0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.8 t -73.69 -42.52 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.8 -23.01 27.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 -8.63 54.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.79 148.81 35.29 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.939 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.06 -27.66 20.09 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.03 -31.15 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.19 -64.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.22 -25.27 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.11 58.09 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.539 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -99.94 -16.97 17.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.63 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.76 26.94 5.77 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -50.52 -40.79 52.47 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.242 0.544 . . . . 0.0 110.09 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -105.8 -29.79 9.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.975 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.63 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.6 mt -60.19 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.6 t -92.13 -45.32 8.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 122.023 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -45.15 68.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.7 m -50.1 -27.1 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.329 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -67.32 -12.26 59.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.055 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.94 155.77 36.07 Favored Pre-proline 0 N--CA 1.455 -0.198 0 CA-C-O 120.802 0.334 . . . . 0.0 111.002 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.71 -20.57 13.48 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.756 2.304 . . . . 0.0 112.583 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.6 -44.14 16.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 111.398 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.5 m -59.67 -41.58 90.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.6 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.78 -38.93 65.71 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -99.85 -26.26 14.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 15' ' ' ILE . 8.2 m-80 -99.72 27.25 5.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.55 -38.89 60.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.153 0.501 . . . . 0.0 110.141 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -21.53 12.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.235 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.635 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.4 mt -69.77 -49.86 54.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -75.08 -22.84 58.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t -61.67 -43.18 99.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 110.807 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.68 -24.5 14.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 m -69.2 -10.39 57.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.353 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -99.84 135.67 20.42 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.614 0.245 . . . . 0.0 110.911 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 51.9 Cg_exo -54.32 -27.74 49.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.554 2.169 . . . . 0.0 112.204 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.71 65.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -55.08 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.008 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.36 67.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.45 -44.98 93.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -100.0 10.77 40.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.756 0.312 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.623 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.8 m-80 -138.01 26.37 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.2 -47.05 72.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.126 0.489 . . . . 0.0 110.578 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -97.93 -18.68 18.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.402 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.623 HG13 ' HA ' ' A' ' 12' ' ' ASN . 2.5 mt -75.15 -44.53 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.13 -49.83 68.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 122.117 -0.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.233 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.2 t -69.54 -43.41 73.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -24.13 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.268 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -67.56 -11.75 58.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.277 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -99.78 139.08 20.55 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.643 0.259 . . . . 0.0 111.023 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.69 -29.59 80.61 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 0.0 112.253 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.44 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -36.4 62.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.28 -25.41 59.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.79 59.48 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.606 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -99.85 -13.83 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.647 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.76 29.28 4.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -38.42 63.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.156 0.503 . . . . 0.0 110.099 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -106.3 -29.58 9.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.131 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.647 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.0 mt -59.04 -55.89 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.811 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -67.67 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.048 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.5 t -81.55 -43.63 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -22.38 27.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 m -61.78 -15.89 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.299 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -99.85 147.48 33.49 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.744 0.306 . . . . 0.0 111.058 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 31.7 Cg_exo -61.22 -32.5 90.63 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.31 80.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.266 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.47 -33.68 58.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.42 38.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.43 -26.48 72.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -99.93 -32.01 11.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.406 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 2.9 m-80 -108.26 45.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -59.24 -53.18 61.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.062 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -57.7 -33.2 68.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.406 ' HB ' ' HB3' ' A' ' 12' ' ' ASN . 1.2 mm -64.81 -63.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.334 0.588 . . . . 0.0 110.738 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.37 -8.06 47.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.077 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.5 t -79.8 -42.49 24.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.95 -24.95 18.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.208 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.7 t -71.22 -9.02 57.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -99.9 154.43 37.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.693 0.282 . . . . 0.0 110.961 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.18 24.45 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.609 2.206 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -32.01 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 -47.23 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.64 -23.68 59.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.42 -46.53 45.15 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.723 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.9 -16.53 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.673 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.69 25.19 7.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -32.73 39.96 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.091 0.472 . . . . 0.0 110.158 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -111.38 -30.36 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.026 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.1 mt -60.99 -51.69 70.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.643 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.2 t -83.2 137.17 34.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 O-C-N 122.088 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -45.03 79.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.968 0.413 . . . . 0.0 110.836 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -49.99 -27.23 5.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.396 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -12.29 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.047 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -100.09 155.71 36.11 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.842 0.353 . . . . 0.0 110.968 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.67 -21.21 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.654 2.236 . . . . 0.0 112.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.96 -43.88 17.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.341 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 m -59.98 -50.1 75.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.3 -28.48 65.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.44 -47.72 86.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.361 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.91 8.05 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 111.037 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.682 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -122.08 24.98 9.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -37.62 51.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.113 0.483 . . . . 0.0 110.296 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -106.28 -29.93 9.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.086 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.682 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -60.05 -56.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.835 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.74 105.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 122.025 -0.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.6 t -78.61 -43.79 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.98 -24.92 10.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.219 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 m -69.61 -9.91 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.356 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.77 134.62 20.9 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.643 0.259 . . . . 0.0 110.952 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.72 -22.36 28.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.541 2.161 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 17.34 11.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.597 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -127.08 -48.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.86 68.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.34 -26.48 67.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -99.98 -34.34 10.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -104.12 39.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' NH2 . 16.0 pt20 -58.5 -43.23 89.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -65.4 -33.95 77.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mm -65.68 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.428 0.632 . . . . 0.0 110.604 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -75.6 -56.6 4.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.812 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 122.051 -0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.09 -42.83 46.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -22.85 37.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -9.61 56.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.354 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.85 147.36 33.33 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.55 -27.54 12.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.603 2.202 . . . . 0.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.75 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.4 t -70.04 -34.39 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.8 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -32.13 83.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -100.0 -31.62 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.758 0.313 . . . . 0.0 110.77 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 3.5 m-80 -105.45 45.62 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.724 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.06 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -54.73 -31.75 58.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 12' ' ' ASN . 1.2 mm -62.49 -64.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.354 0.597 . . . . 0.0 110.698 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -18.14 63.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.087 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.44 -43.21 17.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.32 -22.54 42.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.227 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -67.77 -12.15 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.358 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -99.89 152.49 37.83 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -27.48 19.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.606 2.204 . . . . 0.0 112.365 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.07 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -74.21 -36.28 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.98 53.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.89 -39.81 69.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.607 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -99.88 -20.17 16.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.634 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.64 29.09 4.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -53.42 -39.65 64.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.128 0.49 . . . . 0.0 110.25 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.15 -16.8 14.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.398 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.2 mt -73.55 -50.13 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.209 0.528 . . . . 0.0 110.757 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 105.97 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 122.074 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.2 t -80.29 -43.52 21.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 82.7 m -54.75 -23.81 19.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.207 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -71.54 -8.25 52.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.405 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -99.84 154.43 37.25 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 110.99 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.64 -22.21 28.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.588 2.192 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.48 16.97 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.516 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -127.93 -66.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 3' ' ' CYS . . . -56.32 -28.72 59.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.87 -41.85 84.82 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.376 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -99.89 -17.9 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.337 . . . . 0.0 110.811 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.643 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.73 24.16 8.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -37.31 58.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.097 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -105.1 -29.64 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.006 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.643 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.3 mt -62.33 -55.64 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.58 -57.6 10.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 122.024 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 5' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.1 t -85.07 -43.52 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -25.02 8.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.323 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -72.63 -7.16 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.1 m-70 -99.94 139.83 21.07 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.644 0.259 . . . . 0.0 110.944 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 39.8 Cg_exo -56.84 -31.0 87.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.486 2.124 . . . . 0.0 112.306 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.87 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -31.57 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.19 -23.24 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.221 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.48 -44.33 59.0 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.634 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 111.031 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.631 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.72 30.61 3.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.229 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -38.68 68.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.18 0.514 . . . . 0.0 110.152 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.07 -21.74 12.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.291 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.631 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.4 mt -67.66 -52.35 41.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.688 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.97 164.93 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 O-C-N 122.098 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.5 t -77.25 -42.35 37.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -25.16 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.26 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m -62.82 -15.95 56.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -99.86 154.82 37.05 Favored Pre-proline 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.363 . . . . 0.0 111.032 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.47 -25.44 29.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.416 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.76 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -31.12 55.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.99 -25.18 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.245 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.91 -43.54 71.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -99.94 9.51 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.657 ' HA ' HG13 ' A' ' 15' ' ' ILE . 7.9 m120 -131.71 23.38 4.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.41 -41.03 51.67 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.186 0.517 . . . . 0.0 110.34 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -102.98 -29.38 11.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.999 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.657 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -61.75 -56.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.86 -21.68 64.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.073 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.985 0.422 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.45 -25.26 6.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 m -74.14 -5.24 40.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.421 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 5.6 m-70 -99.83 140.34 21.48 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.669 0.271 . . . . 0.0 110.968 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.81 -30.58 85.55 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.562 2.174 . . . . 0.0 112.259 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.4 67.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.23 -62.17 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.98 -25.43 29.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.01 -52.43 46.87 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -99.9 -4.85 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 111.216 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.684 ' HA ' HG13 ' A' ' 15' ' ' ILE . 2.9 m-80 -99.81 27.26 5.56 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.236 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -53.06 -36.05 60.21 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.176 0.512 . . . . 0.0 110.222 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -108.27 -29.74 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.169 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.684 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.5 mt -59.53 -56.35 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.817 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.876 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.61 -25.23 10.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.262 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t -70.75 -9.26 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.439 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.8 139.35 20.75 Favored Pre-proline 0 N--CA 1.456 -0.14 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.046 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 32.2 Cg_exo -57.9 -21.56 49.82 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.158 . . . . 0.0 112.386 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.45 15.81 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.611 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.71 -41.6 2.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.357 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.47 58.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.75 -43.69 60.25 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -99.78 -22.92 15.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.817 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.628 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.6 m-80 -99.82 21.8 12.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.214 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -53.0 -39.03 62.8 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.219 0.533 . . . . 0.0 110.043 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -101.85 -29.94 11.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.628 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.4 mt -64.28 -53.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.78 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.939 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.964 0.412 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.76 -23.39 42.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -11.39 60.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.389 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.74 151.53 37.5 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.23 -26.94 20.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.38 61.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.7 -44.24 51.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 4.66 33.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.587 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.52 -45.28 8.76 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.583 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -99.94 -25.73 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.94 42.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.751 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -63.47 -31.46 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.405 ' CE1' HG12 ' A' ' 15' ' ' ILE . 12.7 p80 -77.99 -33.9 51.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.405 HG12 ' CE1' ' A' ' 14' ' ' HIS . 1.2 mm -63.72 -63.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.395 0.616 . . . . 0.0 110.642 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.892 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.5 t . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -57.76 -22.37 46.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -68.69 -11.22 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.359 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.43 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.75 149.9 36.34 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.726 0.298 . . . . 0.0 111.028 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.59 -27.35 18.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.71 -66.09 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -28.0 68.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.67 -45.27 78.8 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.679 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -99.96 -29.67 12.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.536 ' OD1' HD12 ' A' ' 15' ' ' ILE . 7.9 m-80 -99.88 29.0 4.39 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -41.99 73.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -69.23 -31.01 69.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.818 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' OD1' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -65.71 -55.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.91 0.386 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.27 -23.6 15.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -72.43 -7.01 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.478 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.3 m-70 -99.81 147.56 33.6 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 110.953 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.04 -26.24 15.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.589 2.193 . . . . 0.0 112.417 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.24 17.03 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.467 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.68 -65.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.398 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -28.71 67.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.053 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.36 -37.4 91.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -99.96 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.02 38.1 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -60.58 -40.0 90.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -72.27 -34.29 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -63.78 -63.54 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.09 -22.7 41.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -67.27 -12.37 59.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.344 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.446 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.82 151.76 37.59 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.972 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.7 -27.33 18.41 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.35 61.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -70.18 -56.06 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -28.1 59.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.16 -47.48 80.99 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -99.95 -11.47 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.672 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.72 27.49 5.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -52.6 -37.48 58.26 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.249 0.547 . . . . 0.0 110.18 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -107.4 -29.71 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.058 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.672 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.2 mt -59.73 -54.97 27.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.746 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.0 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.816 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.899 0.38 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.2 m -54.28 -23.79 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.237 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 t -71.64 -8.35 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.502 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.438 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.85 132.04 23.56 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.559 0.219 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.51 -27.33 49.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.383 2.055 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.11 -33.52 59.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.31 -65.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.5 -23.44 26.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.364 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.95 -53.67 29.16 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -99.96 -4.22 30.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.645 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.78 28.98 4.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -52.38 -38.89 60.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.058 0.456 . . . . 0.0 110.255 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -107.61 -29.96 8.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.183 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.645 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.8 mt -56.6 -57.8 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.848 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.942 0.401 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.8 -23.01 27.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 -8.63 54.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.432 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 5.2 m-70 -99.79 148.81 35.29 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.939 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.06 -27.66 20.09 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.03 -31.15 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.19 -64.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.22 -25.27 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.11 58.09 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.539 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -99.94 -16.97 17.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.63 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.76 26.94 5.77 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -50.52 -40.79 52.47 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.242 0.544 . . . . 0.0 110.09 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -105.8 -29.79 9.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.975 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.63 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.6 mt -60.19 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.866 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.7 m -50.1 -27.1 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.329 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -67.32 -12.26 59.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.055 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.447 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.2 m-70 -99.94 155.77 36.07 Favored Pre-proline 0 N--CA 1.455 -0.198 0 CA-C-O 120.802 0.334 . . . . 0.0 111.002 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.71 -20.57 13.48 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.756 2.304 . . . . 0.0 112.583 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.6 -44.14 16.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 111.398 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.5 m -59.67 -41.58 90.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.6 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.78 -38.93 65.71 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -99.85 -26.26 14.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 15' ' ' ILE . 8.2 m-80 -99.72 27.25 5.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.55 -38.89 60.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.153 0.501 . . . . 0.0 110.141 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -21.53 12.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.235 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.635 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.4 mt -69.77 -49.86 54.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.841 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.917 0.389 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.68 -24.5 14.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 m -69.2 -10.39 57.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.353 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.44 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.5 m-70 -99.84 135.67 20.42 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.614 0.245 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 51.9 Cg_exo -54.32 -27.74 49.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.554 2.169 . . . . 0.0 112.204 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.71 65.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -55.08 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.008 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.36 67.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.45 -44.98 93.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -100.0 10.77 40.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.756 0.312 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.623 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.8 m-80 -138.01 26.37 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.2 -47.05 72.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.126 0.489 . . . . 0.0 110.578 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -97.93 -18.68 18.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.402 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.623 HG13 ' HA ' ' A' ' 12' ' ' ASN . 2.5 mt -75.15 -44.53 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.843 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -24.13 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.268 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -67.56 -11.75 58.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.277 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.6 m-70 -99.78 139.08 20.55 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.643 0.259 . . . . 0.0 111.023 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.69 -29.59 80.61 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 0.0 112.253 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.44 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -36.4 62.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.28 -25.41 59.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.79 59.48 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.606 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -99.85 -13.83 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.647 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.76 29.28 4.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -38.42 63.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.156 0.503 . . . . 0.0 110.099 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -106.3 -29.58 9.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.131 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.647 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.0 mt -59.04 -55.89 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.811 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -22.38 27.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 m -61.78 -15.89 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.299 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.452 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.3 m-70 -99.85 147.48 33.49 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.744 0.306 . . . . 0.0 111.058 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 31.7 Cg_exo -61.22 -32.5 90.63 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.31 80.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.266 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.47 -33.68 58.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.42 38.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.43 -26.48 72.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -99.93 -32.01 11.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.406 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 2.9 m-80 -108.26 45.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -59.24 -53.18 61.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.062 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -57.7 -33.2 68.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.406 ' HB ' ' HB3' ' A' ' 12' ' ' ASN . 1.2 mm -64.81 -63.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.334 0.588 . . . . 0.0 110.738 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.95 -24.95 18.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.208 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.7 t -71.22 -9.02 57.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.43 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 5.3 m-70 -99.9 154.43 37.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.693 0.282 . . . . 0.0 110.961 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.18 24.45 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.609 2.206 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -32.01 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 -47.23 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.64 -23.68 59.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.42 -46.53 45.15 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.723 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.9 -16.53 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.673 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.69 25.19 7.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -32.73 39.96 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.091 0.472 . . . . 0.0 110.158 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -111.38 -30.36 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.026 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.1 mt -60.99 -51.69 70.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.643 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.933 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.968 0.413 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -49.99 -27.23 5.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.396 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -12.29 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.047 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.457 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.3 m-70 -100.09 155.71 36.11 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.842 0.353 . . . . 0.0 110.968 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.67 -21.21 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.654 2.236 . . . . 0.0 112.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.96 -43.88 17.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.341 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 m -59.98 -50.1 75.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.3 -28.48 65.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.44 -47.72 86.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.361 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.91 8.05 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 111.037 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.682 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -122.08 24.98 9.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -37.62 51.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.113 0.483 . . . . 0.0 110.296 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -106.28 -29.93 9.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.086 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.682 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -60.05 -56.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.835 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.919 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.98 -24.92 10.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.219 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 m -69.61 -9.91 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.356 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.6 m-70 -99.77 134.62 20.9 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.643 0.259 . . . . 0.0 110.952 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.72 -22.36 28.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.541 2.161 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 17.34 11.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.597 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -127.08 -48.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.86 68.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.34 -26.48 67.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -99.98 -34.34 10.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -104.12 39.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -58.5 -43.23 89.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -65.4 -33.95 77.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mm -65.68 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.428 0.632 . . . . 0.0 110.604 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.812 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -22.85 37.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -9.61 56.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.354 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.9 m-70 -99.85 147.36 33.33 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.55 -27.54 12.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.603 2.202 . . . . 0.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.75 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.4 t -70.04 -34.39 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.8 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -32.13 83.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -100.0 -31.62 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.758 0.313 . . . . 0.0 110.77 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 3.5 m-80 -105.45 45.62 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.724 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.06 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -54.73 -31.75 58.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 12' ' ' ASN . 1.2 mm -62.49 -64.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.354 0.597 . . . . 0.0 110.698 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.32 -22.54 42.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.227 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -67.77 -12.15 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.358 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.89 152.49 37.83 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -27.48 19.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.606 2.204 . . . . 0.0 112.365 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.07 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -74.21 -36.28 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.98 53.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.89 -39.81 69.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.607 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -99.88 -20.17 16.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.634 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.64 29.09 4.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 13.6 mt-30 -53.42 -39.65 64.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.128 0.49 . . . . 0.0 110.25 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 14' ' ' HIS . 0.5 OUTLIER -109.15 -16.8 14.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.398 179.179 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.2 mt -73.55 -50.13 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.209 0.528 . . . . 0.0 110.757 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.2 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 82.7 m -54.75 -23.81 19.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.207 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -71.54 -8.25 52.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.405 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.8 m-70 -99.84 154.43 37.25 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 110.99 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.64 -22.21 28.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.588 2.192 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.48 16.97 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.516 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -127.93 -66.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 3' ' ' CYS . . . -56.32 -28.72 59.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.87 -41.85 84.82 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.376 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -99.89 -17.9 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.337 . . . . 0.0 110.811 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.643 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.73 24.16 8.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -37.31 58.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.097 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -105.1 -29.64 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.006 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.643 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.3 mt -62.33 -55.64 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.886 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.949 0.404 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -25.02 8.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.323 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -72.63 -7.16 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.1 m-70 -99.94 139.83 21.07 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.644 0.259 . . . . 0.0 110.944 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 39.8 Cg_exo -56.84 -31.0 87.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.486 2.124 . . . . 0.0 112.306 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.87 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -31.57 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.19 -23.24 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.221 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.48 -44.33 59.0 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.634 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 111.031 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.631 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.72 30.61 3.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.229 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -55.23 -38.68 68.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.18 0.514 . . . . 0.0 110.152 179.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 13' ' ' GLN . 0.4 OUTLIER -108.07 -21.74 12.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.291 179.14 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.631 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.4 mt -67.66 -52.35 41.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.688 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -25.16 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.26 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m -62.82 -15.95 56.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.444 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.3 m-70 -99.86 154.82 37.05 Favored Pre-proline 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.363 . . . . 0.0 111.032 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.47 -25.44 29.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.416 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.76 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -31.12 55.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.99 -25.18 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.245 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.91 -43.54 71.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -99.94 9.51 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.657 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -131.71 23.38 4.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.41 -41.03 51.67 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.186 0.517 . . . . 0.0 110.34 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -102.98 -29.38 11.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.999 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.657 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -61.75 -56.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.902 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' CD2' ' A' ' 5' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.2 t -77.83 -43.19 31.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.985 0.422 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.1 t -51.45 -25.26 6.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 m -74.14 -5.24 40.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.421 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 5.6 m-70 -99.83 140.34 21.48 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.669 0.271 . . . . 0.0 110.968 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.81 -30.58 85.55 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.562 2.174 . . . . 0.0 112.259 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.4 67.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.23 -62.17 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.98 -25.43 29.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.01 -52.43 46.87 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -99.9 -4.85 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 111.216 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.684 ' HA ' HG13 ' A' ' 15' ' ' ILE . 2.9 m-80 -99.81 27.26 5.56 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.236 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -53.06 -36.05 60.21 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.176 0.512 . . . . 0.0 110.222 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -108.27 -29.74 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.169 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.684 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.5 mt -59.53 -56.35 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.817 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 t -84.78 -62.01 1.65 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.066 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 5' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 t -80.55 -43.99 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.61 -25.23 10.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.262 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 t -70.75 -9.26 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.279 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.439 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.8 139.35 20.75 Favored Pre-proline 0 N--CA 1.456 -0.14 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.046 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 32.2 Cg_exo -57.9 -21.56 49.82 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.158 . . . . 0.0 112.386 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.45 15.81 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.611 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -123.71 -41.6 2.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.357 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.47 58.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.75 -43.69 60.25 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -99.78 -22.92 15.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.817 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.628 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.6 m-80 -99.82 21.8 12.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.214 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -53.0 -39.03 62.8 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.219 0.533 . . . . 0.0 110.043 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -101.85 -29.94 11.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.857 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.628 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.4 mt -64.28 -53.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.78 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 t -60.09 -49.54 77.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 122.09 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.25 -43.1 43.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.964 0.412 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.76 -23.39 42.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -11.39 60.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.389 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.74 151.53 37.5 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.23 -26.94 20.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.38 61.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.7 -44.24 51.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 4.66 33.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.587 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.52 -45.28 8.76 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.583 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -99.94 -25.73 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.94 42.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.751 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -63.47 -31.46 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.405 ' CE1' HG12 ' A' ' 15' ' ' ILE . 12.7 p80 -77.99 -33.9 51.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.405 HG12 ' CE1' ' A' ' 14' ' ' HIS . 1.2 mm -63.72 -63.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.395 0.616 . . . . 0.0 110.642 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.58 -15.48 61.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 121.966 -0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.5 t -74.92 -43.11 56.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -57.76 -22.37 46.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -68.69 -11.22 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.359 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.43 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.75 149.9 36.34 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.726 0.298 . . . . 0.0 111.028 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.59 -27.35 18.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.71 -66.09 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -28.0 68.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.67 -45.27 78.8 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.679 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -99.96 -29.67 12.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.536 ' OD1' HD12 ' A' ' 15' ' ' ILE . 7.9 m-80 -99.88 29.0 4.39 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -41.99 73.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -69.23 -31.01 69.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.818 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' OD1' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -65.71 -55.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.57 133.39 54.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.044 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.99 -42.44 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.27 -23.6 15.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -72.43 -7.01 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.478 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.3 m-70 -99.81 147.56 33.6 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 0.0 110.953 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.04 -26.24 15.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.589 2.193 . . . . 0.0 112.417 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.24 17.03 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.467 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.68 -65.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.398 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 -28.71 67.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.053 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.36 -37.4 91.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -99.96 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.808 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.02 38.1 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -60.58 -40.0 90.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.965 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -72.27 -34.29 68.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mm -63.78 -63.54 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 165.28 5.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 122.0 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.8 t -60.26 -43.33 96.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.09 -22.7 41.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -67.27 -12.37 59.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.344 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.446 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.82 151.76 37.59 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.972 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.7 -27.33 18.41 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.35 61.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -70.18 -56.06 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -28.1 59.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.16 -47.48 80.99 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -99.95 -11.47 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.826 0.346 . . . . 0.0 111.066 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.672 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.72 27.49 5.36 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -52.6 -37.48 58.26 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.249 0.547 . . . . 0.0 110.18 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -107.4 -29.71 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.058 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.672 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.2 mt -59.73 -54.97 27.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.746 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.0 t -88.22 -50.3 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.114 -0.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.52 -42.79 61.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.2 m -54.28 -23.79 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.237 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 t -71.64 -8.35 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.502 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.438 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.8 m-70 -99.85 132.04 23.56 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.559 0.219 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.51 -27.33 49.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.383 2.055 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.11 -33.52 59.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.31 -65.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.5 -23.44 26.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.364 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.95 -53.67 29.16 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -99.96 -4.22 30.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.645 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.78 28.98 4.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -52.38 -38.89 60.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.058 0.456 . . . . 0.0 110.255 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -107.61 -29.96 8.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.183 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.645 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.8 mt -56.6 -57.8 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.8 t -87.37 -55.54 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.027 -0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.8 t -73.69 -42.52 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.8 -23.01 27.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 -8.63 54.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.432 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 5.2 m-70 -99.79 148.81 35.29 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.939 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.06 -27.66 20.09 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.554 2.169 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.03 -31.15 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.19 -64.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.22 -25.27 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.342 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.02 -40.11 58.09 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.539 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -99.94 -16.97 17.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.63 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.76 26.94 5.77 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -50.52 -40.79 52.47 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.242 0.544 . . . . 0.0 110.09 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -105.8 -29.79 9.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.975 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.63 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.6 mt -60.19 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.6 t -92.13 -45.32 8.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 122.023 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -45.15 68.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.7 m -50.1 -27.1 5.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.329 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -67.32 -12.26 59.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.055 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.447 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.2 m-70 -99.94 155.77 36.07 Favored Pre-proline 0 N--CA 1.455 -0.198 0 CA-C-O 120.802 0.334 . . . . 0.0 111.002 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.71 -20.57 13.48 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.756 2.304 . . . . 0.0 112.583 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.6 -44.14 16.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 111.398 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.5 m -59.67 -41.58 90.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.6 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.78 -38.93 65.71 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -99.85 -26.26 14.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 0.0 110.675 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 15' ' ' ILE . 8.2 m-80 -99.72 27.25 5.52 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.55 -38.89 60.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.153 0.501 . . . . 0.0 110.141 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -21.53 12.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.235 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.635 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.4 mt -69.77 -49.86 54.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.641 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -75.08 -22.84 58.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.3 t -61.67 -43.18 99.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 110.807 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.68 -24.5 14.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 m -69.2 -10.39 57.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.353 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.44 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.5 m-70 -99.84 135.67 20.42 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.614 0.245 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 51.9 Cg_exo -54.32 -27.74 49.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.554 2.169 . . . . 0.0 112.204 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.71 65.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.36 -55.08 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.008 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.36 67.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.45 -44.98 93.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -100.0 10.77 40.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.756 0.312 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.623 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.8 m-80 -138.01 26.37 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.2 -47.05 72.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.126 0.489 . . . . 0.0 110.578 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -97.93 -18.68 18.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.402 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.623 HG13 ' HA ' ' A' ' 12' ' ' ASN . 2.5 mt -75.15 -44.53 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.13 -49.83 68.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 122.117 -0.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.233 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.2 t -69.54 -43.41 73.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -24.13 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.268 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -67.56 -11.75 58.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.277 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.6 m-70 -99.78 139.08 20.55 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.643 0.259 . . . . 0.0 111.023 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.69 -29.59 80.61 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 0.0 112.253 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.44 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -36.4 62.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.28 -25.41 59.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.79 59.48 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.606 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -99.85 -13.83 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.647 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -99.76 29.28 4.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -38.42 63.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.156 0.503 . . . . 0.0 110.099 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -106.3 -29.58 9.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.131 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.647 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.0 mt -59.04 -55.89 20.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.811 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -67.67 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.048 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.5 t -81.55 -43.63 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -22.38 27.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 m -61.78 -15.89 45.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.299 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.452 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.3 m-70 -99.85 147.48 33.49 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.744 0.306 . . . . 0.0 111.058 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 31.7 Cg_exo -61.22 -32.5 90.63 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.31 80.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.266 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.47 -33.68 58.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.42 38.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.43 -26.48 72.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -99.93 -32.01 11.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.406 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 2.9 m-80 -108.26 45.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -59.24 -53.18 61.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.062 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -57.7 -33.2 68.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.406 ' HB ' ' HB3' ' A' ' 12' ' ' ASN . 1.2 mm -64.81 -63.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.334 0.588 . . . . 0.0 110.738 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.37 -8.06 47.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.077 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.5 t -79.8 -42.49 24.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.95 -24.95 18.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.208 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.7 t -71.22 -9.02 57.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.225 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.43 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 5.3 m-70 -99.9 154.43 37.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-O 120.693 0.282 . . . . 0.0 110.961 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.18 24.45 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.609 2.206 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.33 -32.01 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.8 -47.23 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.64 -23.68 59.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.42 -46.53 45.15 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.723 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.9 -16.53 17.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.673 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.69 25.19 7.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -32.73 39.96 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.091 0.472 . . . . 0.0 110.158 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -111.38 -30.36 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.026 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.1 mt -60.99 -51.69 70.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.643 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.2 t -83.2 137.17 34.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 O-C-N 122.088 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -45.03 79.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.968 0.413 . . . . 0.0 110.836 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.9 m -49.99 -27.23 5.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.396 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -12.29 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.047 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.457 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.3 m-70 -100.09 155.71 36.11 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.842 0.353 . . . . 0.0 110.968 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.67 -21.21 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.654 2.236 . . . . 0.0 112.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.96 -43.88 17.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.341 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 m -59.98 -50.1 75.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.3 -28.48 65.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.44 -47.72 86.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.361 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.91 8.05 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 111.037 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.682 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.1 m-80 -122.08 24.98 9.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -37.62 51.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.113 0.483 . . . . 0.0 110.296 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -106.28 -29.93 9.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.086 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.682 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -60.05 -56.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.835 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.1 t -60.74 105.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 122.025 -0.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.6 t -78.61 -43.79 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.98 -24.92 10.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.219 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.9 m -69.61 -9.91 56.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.356 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.6 m-70 -99.77 134.62 20.9 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.643 0.259 . . . . 0.0 110.952 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.72 -22.36 28.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.541 2.161 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.24 17.34 11.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.597 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -127.08 -48.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -29.86 68.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.34 -26.48 67.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -99.98 -34.34 10.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -104.12 39.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' NH2 . 16.0 pt20 -58.5 -43.23 89.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -65.4 -33.95 77.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mm -65.68 -62.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.428 0.632 . . . . 0.0 110.604 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -75.6 -56.6 4.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.812 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 122.051 -0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.09 -42.83 46.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -22.85 37.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -9.61 56.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.354 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.9 m-70 -99.85 147.36 33.33 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.55 -27.54 12.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.603 2.202 . . . . 0.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.24 -32.75 43.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.4 t -70.04 -34.39 73.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.8 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -32.13 83.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -100.0 -31.62 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.758 0.313 . . . . 0.0 110.77 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 3.5 m-80 -105.45 45.62 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.724 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.06 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -54.73 -31.75 58.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.0 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 12' ' ' ASN . 1.2 mm -62.49 -64.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.354 0.597 . . . . 0.0 110.698 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -18.14 63.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.087 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.3 t -82.44 -43.21 17.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.32 -22.54 42.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.227 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -67.77 -12.15 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.358 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 4.7 m-70 -99.89 152.49 37.83 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -27.48 19.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.606 2.204 . . . . 0.0 112.365 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.07 63.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -74.21 -36.28 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.9 -25.98 53.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.89 -39.81 69.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.607 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -99.88 -20.17 16.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.634 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.3 m-80 -99.64 29.09 4.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 13.6 mt-30 -53.42 -39.65 64.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.128 0.49 . . . . 0.0 110.25 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 14' ' ' HIS . 0.5 OUTLIER -109.15 -16.8 14.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.398 179.179 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.2 mt -73.55 -50.13 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 121.209 0.528 . . . . 0.0 110.757 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 105.97 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 122.074 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 5' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.2 t -80.29 -43.52 21.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 82.7 m -54.75 -23.81 19.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.207 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -71.54 -8.25 52.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.405 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.8 m-70 -99.84 154.43 37.25 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 110.99 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.64 -22.21 28.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.588 2.192 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.48 16.97 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.516 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -127.93 -66.05 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 3' ' ' CYS . . . -56.32 -28.72 59.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.87 -41.85 84.82 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.376 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -99.89 -17.9 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.337 . . . . 0.0 110.811 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.643 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.73 24.16 8.7 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -37.31 58.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.097 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -105.1 -29.64 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.006 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.643 HG13 ' HA ' ' A' ' 12' ' ' ASN . 4.3 mt -62.33 -55.64 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.687 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.58 -57.6 10.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 122.024 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' CD2' ' A' ' 5' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.1 t -85.07 -43.52 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -25.02 8.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.323 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -72.63 -7.16 48.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 5.1 m-70 -99.94 139.83 21.07 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.644 0.259 . . . . 0.0 110.944 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' HIS . 39.8 Cg_exo -56.84 -31.0 87.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.486 2.124 . . . . 0.0 112.306 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.87 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -31.57 67.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.19 -23.24 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.221 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.48 -44.33 59.0 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.634 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 111.031 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.631 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -99.72 30.61 3.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.229 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -55.23 -38.68 68.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.18 0.514 . . . . 0.0 110.152 179.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 13' ' ' GLN . 0.4 OUTLIER -108.07 -21.74 12.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.291 179.14 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.631 HG13 ' HA ' ' A' ' 12' ' ' ASN . 5.4 mt -67.66 -52.35 41.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.688 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.97 164.93 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 O-C-N 122.098 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.5 t -77.25 -42.35 37.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -25.16 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.26 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m -62.82 -15.95 56.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 4.3 m-70 -99.86 154.82 37.05 Favored Pre-proline 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.363 . . . . 0.0 111.032 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.47 -25.44 29.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.268 . . . . 0.0 112.416 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.76 74.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -31.12 55.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.99 -25.18 47.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.245 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.91 -43.54 71.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -99.94 9.51 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.657 ' HA ' HG13 ' A' ' 15' ' ' ILE . 3.4 m-80 -131.71 23.38 4.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.41 -41.03 51.67 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.186 0.517 . . . . 0.0 110.34 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -102.98 -29.38 11.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.999 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.657 HG13 ' HA ' ' A' ' 12' ' ' ASN . 3.3 mt -61.75 -56.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.86 -21.68 64.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.073 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_