data_2ytk_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 2ytk _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 47.3 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.972 0.415 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -144.99 128.32 16.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -59.74 120.39 9.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -95.11 36.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.7 mm-40 -126.57 -31.33 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -131.14 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.33 40.8 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -98.11 172.6 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -140.85 134.35 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.02 163.13 25.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 24' ' ' GLN . 6.6 t -87.04 -41.54 13.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.455 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 6.5 mm100 -107.0 173.92 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.8 t-20 -83.8 -51.42 7.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -48.09 -31.19 5.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.5 m170 -69.62 -49.8 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -60.68 -59.72 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 30' ' ' ASN . 8.8 t -47.31 -45.53 24.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' N ' HG22 ' A' ' 29' ' ' THR . 1.4 t30 -60.21 -54.96 39.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 26.9 t60 -42.3 -55.92 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CH2' ' HG2' ' A' ' 17' ' ' GLU . 8.5 m95 -34.39 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 33.3 mtp85 -45.27 -49.89 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.449 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.2 pp -56.19 -31.76 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.449 ' N ' HD12 ' A' ' 34' ' ' ILE . 55.4 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 75.4 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.923 0.392 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -144.82 117.66 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.97 133.64 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -90.76 -27.46 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG2' ' CG ' ' A' ' 35' ' ' HIS . 3.7 tp10 -52.52 -58.48 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.53 -46.44 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.51 42.64 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 tptm -92.33 158.29 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.3 137.97 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 2.5 m-85 -139.67 157.81 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.465 HG21 ' N ' ' A' ' 24' ' ' GLN . 8.7 t -87.99 -40.04 14.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.465 ' N ' HG21 ' A' ' 23' ' ' THR . 24.5 mm-40 -113.36 150.51 32.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -59.7 -48.62 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -42.82 -37.11 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -70.66 -40.09 73.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.89 -65.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 t -40.48 -38.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.5 m120 -70.24 -49.04 54.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 36.3 t60 -44.93 -59.85 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.8 m95 -34.51 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.9 mmp_? -40.62 -52.38 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.6 pp -57.21 -33.69 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' HD12 ' A' ' 34' ' ' ILE . 47.5 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.958 0.408 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -144.88 114.83 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -52.85 152.57 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -103.89 -32.98 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.524 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 72.2 mm-40 -54.27 -58.07 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.05 -45.36 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 34.0 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -83.45 171.45 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 22' ' ' PHE . 91.1 t -132.57 135.72 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' N ' HG13 ' A' ' 21' ' ' VAL . 12.8 m-85 -133.18 149.65 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 p -76.04 -50.14 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -102.08 145.65 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -57.59 -46.09 84.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.466 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 30.1 m -47.71 -40.59 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -64.24 -33.09 75.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.3 tp -82.99 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 2.8 t -39.88 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 28' ' ' LEU . 18.2 t-20 -86.37 -47.05 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' TRP . 12.7 t60 -45.51 -57.13 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.0 m95 -36.2 -34.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 3.2 mmp_? -45.04 -48.23 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.481 HD11 ' CG ' ' A' ' 35' ' ' HIS . 2.0 pp -57.81 -33.97 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.5 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -141.5 143.02 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.7 t -85.07 115.33 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -84.17 24.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.72 -38.77 5.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -131.52 -41.96 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 53.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 156.32 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.0 132.74 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -127.33 170.38 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 24' ' ' GLN . 13.3 t -98.11 -30.3 12.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.469 ' N ' HG22 ' A' ' 23' ' ' THR . 21.2 mt-30 -113.22 158.22 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -67.61 -45.43 75.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 14.6 t -52.36 -43.52 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -58.07 -39.97 79.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.16 -65.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 4.8 t -48.36 -34.9 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 26' ' ' SER . 27.7 t-20 -75.83 -45.24 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' TRP . 41.3 t60 -44.37 -55.71 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.2 m95 -34.39 -38.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -47.04 -49.94 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.48 HD13 ' CE1' ' A' ' 35' ' ' HIS . 1.9 pp -47.84 -35.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CE1' HD13 ' A' ' 34' ' ' ILE . 83.0 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 89.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.932 0.396 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.13 138.7 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.8 t -80.83 140.31 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -99.97 -26.73 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -55.43 -41.96 73.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.62 -47.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.74 1.06 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -77.47 161.29 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.319 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -133.12 145.76 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -145.17 158.03 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.0 p -78.7 -54.94 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 16.8 mt-30 -89.0 173.79 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -83.47 -45.43 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 p -55.41 -27.88 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 11.9 m170 -67.08 -40.97 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.0 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 m -43.46 -44.99 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.93 -51.9 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' TRP . 42.2 t60 -41.18 -55.77 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.6 m95 -34.43 -36.36 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.0 mtp85 -43.85 -49.63 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 35' ' ' HIS . 1.9 pp -57.68 -35.29 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 11.6 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 98.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.948 0.404 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -138.98 142.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' ASN . 33.7 t -98.22 76.25 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.1 t-20 -36.52 -36.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 6.3 tm-20 -42.8 -64.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -107.03 -40.03 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.18 34.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.85 155.61 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.7 t -130.68 136.38 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.5 173.65 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.472 HG21 ' N ' ' A' ' 24' ' ' GLN . 9.3 t -101.24 -30.18 11.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.521 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 51.3 mt-30 -116.23 141.75 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.515 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 10.4 t-20 -54.58 -56.36 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.432 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 4.2 t -39.54 -42.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 9.6 m170 -59.67 -45.23 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.75 -67.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 3.2 t -41.77 -27.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 30' ' ' ASN . 3.2 t30 -83.14 -51.46 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 64.3 t60 -44.78 -52.92 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 9.0 m95 -36.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.3 mtp180 -42.97 -57.65 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -51.74 -26.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CE1' ' OE1' ' A' ' 17' ' ' GLU . 53.4 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.943 0.401 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -144.93 129.69 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.1 t -81.79 88.55 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -50.21 -34.42 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 3.0 tp10 -44.04 -61.7 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.16 -41.17 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 116.44 49.44 0.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.58 159.66 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -132.6 136.19 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -131.56 166.38 21.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 t -90.57 -37.01 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 76.9 mt-30 -102.93 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -85.06 -46.8 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -53.25 -38.61 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.1 m170 -56.18 -44.4 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.45 -47.64 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -57.86 -39.72 78.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -70.13 -47.09 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.9 t60 -46.32 -54.49 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.1 m95 -37.76 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 74.1 mtt180 -47.56 -55.38 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -53.14 -23.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HG2' ' A' ' 17' ' ' GLU . 39.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 39.9 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.925 0.393 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -142.34 127.9 19.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -67.16 162.12 23.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -116.6 -35.6 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' OE1' ' CZ3' ' A' ' 32' ' ' TRP . 2.9 mp0 -51.08 -41.51 60.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -119.56 -42.11 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.36 19.08 7.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 32.1 tttp -69.47 152.68 44.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 22' ' ' PHE . 60.3 t -118.52 142.3 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 8.8 m-85 -133.85 173.26 11.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.1 m -107.25 -49.78 3.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -97.54 146.73 24.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -61.83 -38.09 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -62.06 -8.91 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -97.89 -30.85 12.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 13' ' ' TYR . 54.1 tp -76.14 -61.56 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 t -55.44 -29.18 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 30' ' ' ASN . 21.2 t-20 -74.92 -39.39 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ARG . 41.3 t60 -58.69 -52.15 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' ' OE1' ' A' ' 17' ' ' GLU . 13.4 m95 -41.65 -24.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.1 mtp85 -50.99 -44.86 60.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -67.77 -13.72 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.966 0.412 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -144.78 124.18 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.77 115.99 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -86.09 34.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -128.43 -34.21 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.74 -38.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.63 29.0 2.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -88.41 156.44 19.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.7 t -132.33 143.7 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -135.71 169.57 17.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.1 p -79.87 -56.16 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -106.67 167.02 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 18.6 t30 -70.33 -52.56 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -43.3 -23.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 7.9 m170 -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.4 tp -66.34 -59.17 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -50.75 -33.54 23.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.76 -38.38 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 46.6 t60 -64.1 -57.16 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -35.49 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 47.3 mtp180 -47.01 -48.89 21.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.454 HD11 ' N ' ' A' ' 35' ' ' HIS . 2.2 pp -57.62 -31.09 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.454 ' N ' HD11 ' A' ' 34' ' ' ILE . 36.0 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 48.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -140.99 121.03 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.0 t -54.1 153.55 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -108.48 -24.96 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.46 -45.4 91.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -117.33 -40.09 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.14 15.84 10.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -71.82 137.26 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -107.33 147.49 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -133.5 177.03 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.8 m -93.13 -61.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -97.45 150.9 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.4 p-10 -62.6 -37.09 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -57.38 -14.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -91.06 -36.44 14.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . 8.8 tp -78.19 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -43.2 -25.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -93.05 -28.92 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.8 t60 -59.75 -45.63 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -45.5 -21.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 55.9 mtt-85 -53.54 -51.71 62.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -60.14 -13.92 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.943 0.401 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -144.91 120.39 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -61.75 160.01 12.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -110.29 -40.63 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 32' ' ' TRP . 12.6 mp0 -47.65 -55.77 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.85 -43.84 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.05 32.75 2.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -81.37 174.33 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.2 t -138.57 141.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -138.07 146.58 43.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.1 p -73.76 -42.53 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.26 148.31 26.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -61.52 -49.28 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.466 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 5.5 t -43.85 -39.36 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -64.21 -43.7 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.64 -60.16 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 4.5 t -49.86 -29.81 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 31.6 t30 -78.26 -48.76 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.6 t60 -48.86 -57.78 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 17' ' ' GLU . 11.1 m95 -35.88 -34.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 25.9 mmt180 -42.27 -53.97 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.45 HD12 ' CE1' ' A' ' 35' ' ' HIS . 2.2 pp -55.29 -36.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 24.1 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 92.3 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -131.77 134.33 45.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 111.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -84.62 31.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.94 -38.57 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.77 -42.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.99 39.48 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -97.98 154.25 17.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.09 144.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -139.91 175.92 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 m -94.89 -59.7 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -103.12 140.98 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.461 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.3 t-20 -41.37 -53.29 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -38.48 -47.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -58.04 -44.71 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' ASN . 28.6 tp -69.19 -67.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 30' ' ' ASN . 6.3 t -42.11 -30.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 29' ' ' THR . 4.3 m120 -74.49 -44.8 49.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.495 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 63.3 t60 -49.72 -52.43 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' HIS . 12.6 m95 -37.02 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.5 mtm105 -43.21 -49.27 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 35' ' ' HIS . 7.0 pt -63.83 -26.81 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.3 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 66.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.936 0.398 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' CD ' HG22 ' A' ' 21' ' ' VAL . 31.0 tptt -143.47 132.5 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.12 151.99 38.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -107.79 -33.19 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -52.48 -49.67 64.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -120.65 -44.96 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.47 83.37 1.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -140.88 147.51 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.443 HG22 ' CD ' ' A' ' 14' ' ' LYS . 46.6 t -109.87 143.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 28' ' ' LEU . 25.9 m-85 -130.62 157.94 41.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.3 p -71.58 -46.5 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -110.73 170.49 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 12.5 t30 -75.6 -43.91 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -51.53 -46.74 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -49.35 -45.03 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD13 ' CE1' ' A' ' 22' ' ' PHE . 46.6 tp -67.16 -58.18 5.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -43.44 -44.15 5.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.433 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 48.0 m-20 -67.42 -35.65 79.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.4 t60 -61.86 -62.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -36.03 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 94.7 mtt180 -46.19 -53.35 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.9 pt -53.47 -24.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 36.3 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.968 0.414 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.68 131.42 22.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 t -70.45 131.2 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -92.61 -16.19 25.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.5 tm-20 -63.5 -56.52 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.43 -35.86 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.25 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -64.46 -174.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -157.29 137.97 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -139.93 175.49 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -99.56 -48.32 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -103.41 151.96 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -59.03 -51.76 68.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -40.37 -40.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -61.65 -47.83 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' HIS . 57.2 tp -66.15 -68.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -41.27 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LEU . 67.9 m-20 -89.04 -36.92 15.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 45.6 t60 -56.23 -41.02 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -47.98 -20.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -54.06 -59.04 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.428 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.2 pt -52.37 -21.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 6.9 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.944 0.402 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -118.68 156.19 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -88.53 149.13 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -112.86 34.62 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.36 -33.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -132.51 -39.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.89 27.18 3.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.2 tptt -77.54 158.42 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.45 145.45 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -147.47 177.96 8.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m -103.41 -58.77 1.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -89.02 144.51 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -54.94 -51.03 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 27.4 t -45.39 -46.32 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 10.0 m170 -59.7 -33.84 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD11 ' CE1' ' A' ' 22' ' ' PHE . 15.5 tp -82.21 -63.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 6.0 t -45.02 -29.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -80.02 -34.76 38.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 28' ' ' LEU . 36.3 t60 -58.28 -42.25 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.15 -17.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -55.07 -52.77 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -59.81 -9.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.34 139.16 54.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.1 t -90.43 106.35 18.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.56 -29.39 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 3.5 tp10 -48.83 -56.96 7.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -119.47 -40.37 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.07 34.68 1.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tptp -88.0 133.77 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 22' ' ' PHE . 82.5 t -105.47 143.49 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 6.2 m-85 -139.64 166.56 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -88.72 -35.35 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.76 168.84 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' LEU . 6.9 t-20 -70.31 -58.64 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.3 t -37.77 -35.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -70.87 -45.5 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' ASN . 14.0 tp -72.37 -52.9 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t -58.41 -38.51 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' SER . 23.0 t-20 -70.72 -21.57 62.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.5 t60 -76.1 -55.07 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -39.08 -25.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.2 mtt180 -50.36 -48.36 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -60.8 -20.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -139.74 109.04 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.0 t -51.04 144.44 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -101.21 -24.16 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 tm-20 -56.98 -44.67 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.91 -44.11 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.75 41.74 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -95.2 154.71 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -125.44 137.04 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -133.85 154.62 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.3 m -82.53 -50.45 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.511 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 27.7 mp0 -91.25 151.87 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.65 -46.2 80.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -49.65 -33.09 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.1 m170 -68.23 -35.54 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 tp -75.88 -66.89 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -47.99 -26.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -84.66 -32.42 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.2 t60 -62.75 -55.63 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -37.58 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 52.0 mtp85 -47.39 -53.73 13.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.3 pt -55.1 -22.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.513 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.0 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.967 0.413 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -127.55 159.4 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.84 158.27 15.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.48 -33.19 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -56.69 -57.12 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -107.59 -45.83 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.78 32.03 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -81.58 164.15 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 22' ' ' PHE . 75.5 t -121.59 161.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' A' ' 28' ' ' LEU . 4.2 m-85 -156.72 157.17 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 24' ' ' GLN . 3.8 t -83.84 -42.64 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.435 ' N ' HG21 ' A' ' 23' ' ' THR . 6.6 mm100 -113.2 161.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.2 p-10 -62.05 -55.38 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 19.3 m -37.97 -49.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -58.62 -40.45 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 22' ' ' PHE . 31.2 tp -76.36 -64.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -47.62 -43.86 26.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' SER . 15.1 t-20 -66.18 -45.05 82.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -46.37 -48.03 18.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -42.8 -29.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -44.35 -54.68 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.8 pt -56.81 -23.98 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.2 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.935 0.398 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -143.69 127.64 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ASN . 36.2 t -76.49 69.25 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.3 m120 -34.72 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -43.95 -58.03 3.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -107.06 -41.44 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.65 19.55 3.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -77.87 160.88 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -135.14 139.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -138.36 170.94 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.0 m -98.16 -54.56 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.497 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 8.6 tp60 -83.13 147.42 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -65.64 -53.58 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -28.63 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 24' ' ' GLN . 30.9 m170 -68.78 -40.21 79.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -67.15 -61.18 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 t -51.71 -29.09 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.9 -51.13 14.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' TRP . 23.6 t60 -45.8 -50.68 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' HIS . 7.5 m95 -37.78 -37.15 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -48.46 -46.94 38.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -53.28 -34.47 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.956 0.408 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -120.0 149.59 41.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 16' ' ' ASN . 27.0 t -83.37 162.0 21.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.442 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 15.0 t30 -107.08 -34.84 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 5.4 tp10 -56.85 -43.0 80.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.44 -48.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 10.44 4.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 9.1 ttmt -52.4 162.13 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -128.24 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 4.0 m-85 -149.41 165.34 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 m -86.73 -56.14 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -92.93 162.71 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.7 t30 -66.76 -61.16 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.2 t -34.58 -50.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.2 tp -78.31 -59.66 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -48.13 -29.45 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 93.5 m-20 -86.76 -39.91 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.3 t60 -51.53 -35.76 41.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -56.3 -34.93 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.48 -35.54 65.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 pp -59.66 -26.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 44.7 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -131.64 129.41 40.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -98.22 114.8 27.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.49 65.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -121.9 130.74 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -96.15 175.88 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.83 -82.62 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 m -62.21 -55.74 25.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.57 -64.64 3.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -54.24 162.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -78.3 158.98 76.08 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.555 0.693 . . . . 0.0 110.924 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.73 -14.77 36.65 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.3 m-85 -111.17 119.85 40.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -144.99 128.32 16.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -59.74 120.39 9.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -95.11 36.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.7 mm-40 -126.57 -31.33 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -131.14 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.33 40.8 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -98.11 172.6 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -140.85 134.35 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.02 163.13 25.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 24' ' ' GLN . 6.6 t -87.04 -41.54 13.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.455 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 6.5 mm100 -107.0 173.92 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.8 t-20 -83.8 -51.42 7.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -48.09 -31.19 5.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.5 m170 -69.62 -49.8 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -60.68 -59.72 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 30' ' ' ASN . 8.8 t -47.31 -45.53 24.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' N ' HG22 ' A' ' 29' ' ' THR . 1.4 t30 -60.21 -54.96 39.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 26.9 t60 -42.3 -55.92 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CH2' ' HG2' ' A' ' 17' ' ' GLU . 8.5 m95 -34.39 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 33.3 mtp85 -45.27 -49.89 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.449 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.2 pp -56.19 -31.76 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.449 ' N ' HD12 ' A' ' 34' ' ' ILE . 55.4 m-70 -75.97 -41.46 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.4 p -79.43 81.96 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.78 -155.26 25.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.438 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 73.36 49.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.926 0.393 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 23.8 mtmm 58.72 54.81 5.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.74 -7.05 20.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 t -96.64 91.78 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.95 -167.55 33.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.69 10.35 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.742 2.295 . . . . 0.0 112.369 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 t -54.08 137.39 40.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 81.5 p -93.73 -47.32 6.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.462 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -128.38 92.56 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -106.22 167.21 9.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.94 45.73 2.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -163.52 127.25 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -110.2 137.41 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.19 -87.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 p -47.59 156.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.14 72.58 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -96.91 139.38 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 23' ' ' THR . 11.4 mttp -86.27 152.37 55.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.82 0.13 6.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.49 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 75.4 m-85 -126.32 109.58 12.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -144.82 117.66 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.97 133.64 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -90.76 -27.46 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG2' ' CG ' ' A' ' 35' ' ' HIS . 3.7 tp10 -52.52 -58.48 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.53 -46.44 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.51 42.64 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 tptm -92.33 158.29 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.3 137.97 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 2.5 m-85 -139.67 157.81 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.465 HG21 ' N ' ' A' ' 24' ' ' GLN . 8.7 t -87.99 -40.04 14.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.465 ' N ' HG21 ' A' ' 23' ' ' THR . 24.5 mm-40 -113.36 150.51 32.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -59.7 -48.62 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -42.82 -37.11 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -70.66 -40.09 73.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.89 -65.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 t -40.48 -38.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.5 m120 -70.24 -49.04 54.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 36.3 t60 -44.93 -59.85 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.8 m95 -34.51 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.9 mmp_? -40.62 -52.38 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.6 pp -57.21 -33.69 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' HD12 ' A' ' 34' ' ' ILE . 47.5 m-70 -73.29 -39.69 65.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.2 p -79.78 82.79 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.67 -48.47 0.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -79.47 45.19 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.945 0.402 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -134.76 56.97 19.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.703 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.23 3.69 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.703 2.268 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 p -89.63 153.21 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.14 171.03 29.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.2 3.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -143.81 160.69 40.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.8 t -157.97 137.56 12.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.457 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -116.29 141.65 47.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -132.82 107.74 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.0 -44.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -91.71 108.48 19.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -141.37 123.65 15.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.69 118.85 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 t -114.53 44.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 0.0 110.839 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.02 70.39 1.08 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -140.35 115.12 9.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 0.0 110.941 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -75.1 161.14 78.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 110.927 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.8 -8.36 23.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 83.0 m-85 -119.69 117.07 27.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -144.88 114.83 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -52.85 152.57 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -103.89 -32.98 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.524 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 72.2 mm-40 -54.27 -58.07 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.05 -45.36 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 34.0 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -83.45 171.45 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 91.1 t -132.57 135.72 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' N ' HG13 ' A' ' 21' ' ' VAL . 12.8 m-85 -133.18 149.65 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 p -76.04 -50.14 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -102.08 145.65 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -57.59 -46.09 84.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.466 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 30.1 m -47.71 -40.59 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -64.24 -33.09 75.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.3 tp -82.99 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 2.8 t -39.88 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 28' ' ' LEU . 18.2 t-20 -86.37 -47.05 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' TRP . 12.7 t60 -45.51 -57.13 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.0 m95 -36.2 -34.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 3.2 mmp_? -45.04 -48.23 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.481 HD11 ' CG ' ' A' ' 35' ' ' HIS . 2.0 pp -57.81 -33.97 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.5 m-70 -71.92 -35.2 69.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 p -83.21 45.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.2 -27.99 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' LYS . 8.3 tp10 -86.72 43.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER 34.51 54.72 1.73 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.876 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.75 1.92 3.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -94.33 151.74 19.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.7 -90.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 159.43 53.42 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t 59.0 42.38 19.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.8 p -53.61 -47.96 69.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.5 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -146.9 146.1 30.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.364 . . . . 0.0 110.897 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -117.26 131.23 56.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.79 -50.5 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -62.22 139.97 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -172.4 155.34 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.76 -75.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.2 p -64.96 108.26 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.85 144.24 16.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -68.19 161.12 27.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -109.99 161.45 24.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.553 0.692 . . . . 0.0 110.904 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.73 -10.19 27.97 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.456 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 86.3 m-85 -112.52 116.06 29.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -141.5 143.02 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.7 t -85.07 115.33 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -84.17 24.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.72 -38.77 5.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -131.52 -41.96 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 53.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 156.32 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 85.4 t -131.0 132.74 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -127.33 170.38 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 24' ' ' GLN . 13.3 t -98.11 -30.3 12.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.469 ' N ' HG22 ' A' ' 23' ' ' THR . 21.2 mt-30 -113.22 158.22 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -67.61 -45.43 75.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 14.6 t -52.36 -43.52 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -58.07 -39.97 79.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.16 -65.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 4.8 t -48.36 -34.9 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 26' ' ' SER . 27.7 t-20 -75.83 -45.24 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' TRP . 41.3 t60 -44.37 -55.71 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.2 m95 -34.39 -38.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -47.04 -49.94 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.48 HD13 ' CE1' ' A' ' 35' ' ' HIS . 1.9 pp -47.84 -35.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CE1' HD13 ' A' ' 34' ' ' ILE . 83.0 m-70 -72.97 -40.05 65.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.9 p -88.54 92.16 9.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.15 173.26 43.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -90.79 42.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' NZ ' ' HA ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -135.0 57.28 20.27 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 125.19 11.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -98.09 139.37 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.76 -95.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.14 6.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -48.59 118.48 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -92.07 105.75 17.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 m -45.97 121.6 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -127.44 114.42 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.51 95.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -92.67 148.38 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.827 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -143.43 146.77 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.73 99.15 0.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -67.06 -35.03 78.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.27 -170.5 43.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -89.88 121.64 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HD2' ' CG1' ' A' ' 21' ' ' VAL . 42.9 mttm -72.43 155.56 91.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.19 3.75 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 89.7 m-85 -134.92 94.97 3.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.13 138.7 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.8 t -80.83 140.31 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -99.97 -26.73 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -55.43 -41.96 73.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.62 -47.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.74 1.06 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -77.47 161.29 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.319 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.402 ' CG1' ' HD2' ' A' ' 11' ' ' LYS . 74.9 t -133.12 145.76 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -145.17 158.03 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.0 p -78.7 -54.94 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 16.8 mt-30 -89.0 173.79 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -83.47 -45.43 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 p -55.41 -27.88 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 11.9 m170 -67.08 -40.97 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.0 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 m -43.46 -44.99 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.93 -51.9 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' TRP . 42.2 t60 -41.18 -55.77 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.6 m95 -34.43 -36.36 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.0 mtp85 -43.85 -49.63 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 35' ' ' HIS . 1.9 pp -57.68 -35.29 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 11.6 m-70 -69.86 -38.15 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -141.75 115.46 9.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.71 174.38 30.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -102.18 120.99 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 22.2 ttpt 50.93 54.3 15.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.77 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 t -134.78 89.73 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.39 86.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 86.32 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -87.62 174.78 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.0 t -115.97 149.21 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.464 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -86.7 136.21 33.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -81.9 -44.6 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.85 -108.58 3.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -152.25 165.0 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.793 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -95.39 42.23 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.6 79.08 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -46.93 134.29 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.72 89.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -89.9 117.83 29.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -115.19 161.51 29.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.82 3.18 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 98.8 m-85 -124.28 118.84 27.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -138.98 142.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' ASN . 33.7 t -98.22 76.25 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.1 t-20 -36.52 -36.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 6.3 tm-20 -42.8 -64.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -107.03 -40.03 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.18 34.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.85 155.61 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 96.7 t -130.68 136.38 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.5 173.65 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.472 HG21 ' N ' ' A' ' 24' ' ' GLN . 9.3 t -101.24 -30.18 11.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.521 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 51.3 mt-30 -116.23 141.75 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.515 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 10.4 t-20 -54.58 -56.36 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.432 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 4.2 t -39.54 -42.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 9.6 m170 -59.67 -45.23 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.75 -67.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 3.2 t -41.77 -27.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 30' ' ' ASN . 3.2 t30 -83.14 -51.46 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 64.3 t60 -44.78 -52.92 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 9.0 m95 -36.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.3 mtp180 -42.97 -57.65 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -51.74 -26.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CE1' ' OE1' ' A' ' 17' ' ' GLU . 53.4 m-70 -85.87 -36.95 19.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.1 p -72.54 112.03 8.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.48 175.94 47.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.4 -1.61 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 18.2 mtmm -133.75 56.01 18.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.696 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.2 Cg_endo -69.72 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' PRO . 33.6 m 34.41 42.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.04 -158.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 178.44 4.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.7 m -53.58 103.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.7 p -105.7 -44.85 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.495 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -50.18 -60.91 2.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 0.0 110.824 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -82.01 142.61 32.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.67 49.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -131.42 42.14 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -120.08 175.64 5.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.82 91.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.1 m -63.54 139.18 58.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.833 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.37 -155.86 14.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 55.8 36.62 27.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -41.79 157.78 0.2 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.551 0.691 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 2.82 3.19 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -131.97 116.86 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -144.93 129.69 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.1 t -81.79 88.55 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -50.21 -34.42 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 3.0 tp10 -44.04 -61.7 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.16 -41.17 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 116.44 49.44 0.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.58 159.66 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -132.6 136.19 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -131.56 166.38 21.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 t -90.57 -37.01 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 76.9 mt-30 -102.93 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -85.06 -46.8 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -53.25 -38.61 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.1 m170 -56.18 -44.4 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.45 -47.64 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -57.86 -39.72 78.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -70.13 -47.09 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.9 t60 -46.32 -54.49 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.1 m95 -37.76 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 74.1 mtt180 -47.56 -55.38 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -53.14 -23.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HG2' ' A' ' 17' ' ' GLU . 39.2 m-70 -89.2 -38.38 14.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.5 p -87.45 87.64 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.73 -154.88 6.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 39' ' ' LYS . 24.7 mp0 -107.51 136.19 47.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 38' ' ' GLU . 16.6 ptmt 34.44 54.66 1.69 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.74 1.95 3.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.233 . . . . 0.0 112.39 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.9 p -73.48 146.61 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.02 -93.73 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 98.17 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -132.96 132.57 42.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 t -155.84 147.32 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.487 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 66.94 42.41 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -93.85 169.8 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.46 127.48 0.97 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -173.26 133.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p -174.98 110.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.22 111.93 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -92.18 118.35 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.933 0.396 . . . . 0.0 110.807 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.36 115.5 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -78.89 148.21 32.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -110.45 81.01 2.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.544 0.688 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.76 2.88 3.14 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 39.9 m-85 -156.35 107.18 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -142.34 127.9 19.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -67.16 162.12 23.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -116.6 -35.6 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' OE1' ' CZ3' ' A' ' 32' ' ' TRP . 2.9 mp0 -51.08 -41.51 60.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -119.56 -42.11 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.36 19.08 7.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 32.1 tttp -69.47 152.68 44.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 22' ' ' PHE . 60.3 t -118.52 142.3 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 8.8 m-85 -133.85 173.26 11.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.1 m -107.25 -49.78 3.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -97.54 146.73 24.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -61.83 -38.09 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -62.06 -8.91 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -97.89 -30.85 12.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 13' ' ' TYR . 54.1 tp -76.14 -61.56 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 t -55.44 -29.18 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 30' ' ' ASN . 21.2 t-20 -74.92 -39.39 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ARG . 41.3 t60 -58.69 -52.15 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' ' OE1' ' A' ' 17' ' ' GLU . 13.4 m95 -41.65 -24.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.1 mtp85 -50.99 -44.86 60.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -67.77 -13.72 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -94.98 -27.21 15.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -149.98 117.07 5.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.71 48.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.458 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.68 94.47 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 6.1 ttpt -39.5 -59.79 1.49 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.78 111.79 2.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.295 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.1 m -130.23 43.93 3.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.43 -171.93 36.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.1 t -35.0 121.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 t -74.92 131.23 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -148.84 155.49 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -103.09 123.19 46.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.41 178.91 17.96 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -123.3 152.93 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -58.56 -45.99 87.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.02 -78.64 0.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -132.35 44.05 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.58 80.04 0.35 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -164.13 152.71 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -123.66 143.92 43.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.687 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.76 1.74 4.16 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 2.281 . . . . 0.0 112.332 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 50.8 m-85 -120.12 110.51 16.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -144.78 124.18 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.77 115.99 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -86.09 34.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -128.43 -34.21 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.74 -38.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.63 29.0 2.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -88.41 156.44 19.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.7 t -132.33 143.7 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -135.71 169.57 17.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.1 p -79.87 -56.16 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -106.67 167.02 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 18.6 t30 -70.33 -52.56 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -43.3 -23.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 7.9 m170 -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.4 tp -66.34 -59.17 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -50.75 -33.54 23.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.76 -38.38 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 46.6 t60 -64.1 -57.16 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -35.49 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 47.3 mtp180 -47.01 -48.89 21.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.454 HD11 ' N ' ' A' ' 35' ' ' HIS . 2.2 pp -57.62 -31.09 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.454 ' N ' HD11 ' A' ' 34' ' ' ILE . 36.0 m-70 -75.67 -35.8 60.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -91.47 112.8 24.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.48 72.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -89.23 65.57 7.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 8.1 tttm -40.02 -60.04 1.57 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.8 163.3 38.83 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -85.79 133.36 33.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.03 -158.26 24.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -0.66 7.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.7 p -150.57 118.62 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 m -67.01 -50.95 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.473 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p 42.53 42.17 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -136.7 134.51 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.25 114.37 3.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -90.32 83.07 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -169.9 141.65 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.18 -135.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 p -81.54 89.69 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.7 -48.17 17.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.91 131.61 34.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.848 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.29 149.88 18.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.76 2.23 3.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 48.6 m-85 -130.49 105.64 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -140.99 121.03 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.0 t -54.1 153.55 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -108.48 -24.96 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.46 -45.4 91.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -117.33 -40.09 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.14 15.84 10.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -71.82 137.26 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -107.33 147.49 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -133.5 177.03 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.8 m -93.13 -61.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -97.45 150.9 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.4 p-10 -62.6 -37.09 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -57.38 -14.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -91.06 -36.44 14.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . 8.8 tp -78.19 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -43.2 -25.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -93.05 -28.92 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.8 t60 -59.75 -45.63 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -45.5 -21.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 55.9 mtt-85 -53.54 -51.71 62.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -60.14 -13.92 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -95.25 -38.63 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 p -84.93 134.95 34.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.04 47.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.25 142.53 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -47.54 -59.74 5.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 0.0 110.94 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.79 96.13 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 p -62.36 -58.06 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.29 145.82 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -177.04 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.5 m -45.98 -64.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 t -95.87 146.92 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.457 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -82.11 115.55 21.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.351 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.7 p -111.69 87.75 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.76 163.32 36.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -72.81 -47.18 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t 72.23 42.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.11 174.82 16.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.4 m -78.86 136.0 37.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.51 142.98 4.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -166.84 143.29 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 1.6 tppp? -100.37 135.12 20.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -7.04 20.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.359 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.478 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.1 m-85 -131.06 106.78 8.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -144.91 120.39 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -61.75 160.01 12.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -110.29 -40.63 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 32' ' ' TRP . 12.6 mp0 -47.65 -55.77 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.85 -43.84 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.05 32.75 2.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -81.37 174.33 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.433 ' CG1' ' HG2' ' A' ' 11' ' ' LYS . 93.2 t -138.57 141.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -138.07 146.58 43.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.1 p -73.76 -42.53 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.26 148.31 26.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -61.52 -49.28 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.466 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 5.5 t -43.85 -39.36 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -64.21 -43.7 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.64 -60.16 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 4.5 t -49.86 -29.81 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 31.6 t30 -78.26 -48.76 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.6 t60 -48.86 -57.78 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 17' ' ' GLU . 11.1 m95 -35.88 -34.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 25.9 mmt180 -42.27 -53.97 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.45 HD12 ' CE1' ' A' ' 35' ' ' HIS . 2.2 pp -55.29 -36.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 24.1 m-70 -70.28 -41.18 73.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.1 p -76.28 91.63 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.31 -90.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -80.56 159.18 25.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -134.74 57.2 20.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -174.74 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 p -49.86 159.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.68 -168.87 15.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.75 2.43 3.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 43' ' ' PRO . 52.5 m -34.94 119.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -89.72 85.34 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.471 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -129.33 128.32 42.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -153.24 177.12 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.01 137.99 4.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -164.78 145.11 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 0.0 110.807 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -147.62 160.53 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.61 113.81 1.73 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.7 p -148.26 141.91 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.63 65.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -97.05 146.15 25.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -125.06 158.53 62.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.669 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -0.28 6.68 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 92.3 m-85 -133.27 96.92 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -131.77 134.33 45.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 111.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -84.62 31.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.94 -38.57 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.77 -42.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.99 39.48 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -97.98 154.25 17.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.09 144.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -139.91 175.92 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 m -94.89 -59.7 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -103.12 140.98 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.461 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.3 t-20 -41.37 -53.29 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -38.48 -47.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -58.04 -44.71 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' ASN . 28.6 tp -69.19 -67.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 30' ' ' ASN . 6.3 t -42.11 -30.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 29' ' ' THR . 4.3 m120 -74.49 -44.8 49.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 63.3 t60 -49.72 -52.43 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' HIS . 12.6 m95 -37.02 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.5 mtm105 -43.21 -49.27 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 35' ' ' HIS . 7.0 pt -63.83 -26.81 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.3 m-70 -79.33 -36.72 39.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -77.15 -42.05 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.18 -171.57 6.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -92.73 91.88 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 26.1 tptt -134.28 56.95 20.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.71 102.94 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.9 t -44.83 145.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.46 83.41 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 91.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -84.08 120.13 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -98.16 86.54 3.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.474 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m 52.89 41.99 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -114.83 135.23 54.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.04 -127.44 5.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 m -123.16 43.59 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -63.33 142.72 58.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.76 -103.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.7 p -90.38 43.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 40.39 -130.45 2.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -105.42 159.76 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 2.4 mptt -73.67 161.47 78.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.516 0.674 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.79 3.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.274 . . . . 0.0 112.327 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 66.5 m-85 -135.21 108.28 7.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' CD ' HG22 ' A' ' 21' ' ' VAL . 31.0 tptt -143.47 132.5 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.12 151.99 38.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -107.79 -33.19 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -52.48 -49.67 64.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -120.65 -44.96 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.47 83.37 1.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -140.88 147.51 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 46.6 t -109.87 143.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 28' ' ' LEU . 25.9 m-85 -130.62 157.94 41.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.3 p -71.58 -46.5 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -110.73 170.49 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 12.5 t30 -75.6 -43.91 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -51.53 -46.74 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -49.35 -45.03 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD13 ' CE1' ' A' ' 22' ' ' PHE . 46.6 tp -67.16 -58.18 5.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -43.44 -44.15 5.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.433 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 48.0 m-20 -67.42 -35.65 79.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.4 t60 -61.86 -62.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -36.03 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 94.7 mtt180 -46.19 -53.35 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.9 pt -53.47 -24.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 36.3 m-70 -86.96 -37.3 17.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.5 p -97.26 102.15 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.62 -160.03 25.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' C ' ' A' ' 39' ' ' LYS . 1.1 pm0 -85.59 58.22 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.504 ' O ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER 30.43 54.51 0.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.89 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.74 -41.67 4.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 m -143.95 130.19 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.86 177.18 38.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.39 19.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -112.34 123.57 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.4 p -66.3 156.46 34.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t -164.03 127.13 2.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 m -80.55 93.29 6.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.94 130.17 3.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -129.1 112.96 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -41.67 -55.23 3.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 108.22 0.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 p -57.19 -62.48 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.06 98.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 19.2 mp0 -99.48 79.92 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -92.54 148.6 36.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.559 0.695 . . . . 0.0 110.923 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.68 0.81 5.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 61.9 m-85 -140.25 116.25 10.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.68 131.42 22.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 t -70.45 131.2 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -92.61 -16.19 25.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.5 tm-20 -63.5 -56.52 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.43 -35.86 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.25 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -64.46 -174.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -157.29 137.97 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -139.93 175.49 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -99.56 -48.32 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -103.41 151.96 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -59.03 -51.76 68.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -40.37 -40.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -61.65 -47.83 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' HIS . 57.2 tp -66.15 -68.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -41.27 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LEU . 67.9 m-20 -89.04 -36.92 15.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 45.6 t60 -56.23 -41.02 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -47.98 -20.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -54.06 -59.04 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.428 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.2 pt -52.37 -21.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 6.9 m-70 -86.81 -29.95 21.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.0 p -97.8 94.02 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.83 -39.48 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.418 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.65 75.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 28.9 tttt -58.7 -60.04 11.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.73 155.19 66.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -87.57 109.14 19.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.09 -179.49 27.3 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.65 23.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p -89.38 93.61 9.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -85.76 131.77 34.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -136.83 109.51 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -163.83 118.18 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.01 -49.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -50.62 123.78 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -49.68 -51.64 36.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.87 117.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -112.27 42.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.91 60.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -127.64 86.88 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -122.5 150.77 58.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 0.0 110.875 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -11.7 31.41 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 2.285 . . . . 0.0 112.347 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -86.57 87.63 7.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -118.68 156.19 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -88.53 149.13 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -112.86 34.62 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.36 -33.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -132.51 -39.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.89 27.18 3.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.2 tptt -77.54 158.42 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.45 145.45 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -147.47 177.96 8.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m -103.41 -58.77 1.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -89.02 144.51 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -54.94 -51.03 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 27.4 t -45.39 -46.32 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 10.0 m170 -59.7 -33.84 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD11 ' CE1' ' A' ' 22' ' ' PHE . 15.5 tp -82.21 -63.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 6.0 t -45.02 -29.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -80.02 -34.76 38.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 28' ' ' LEU . 36.3 t60 -58.28 -42.25 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.15 -17.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -55.07 -52.77 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -59.81 -9.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -100.13 -36.07 9.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.7 p -86.52 83.12 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.78 86.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -53.19 95.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 12.6 tttt -67.87 -59.84 6.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.561 0.696 . . . . 0.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.81 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.6 m -64.01 -56.82 12.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.93 153.68 7.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -165.47 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -100.8 85.02 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 p -170.54 137.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.468 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p 41.43 40.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.871 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 t -123.15 136.54 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.14 155.09 51.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -80.33 -53.21 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -74.07 -59.88 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.2 -130.11 48.56 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -74.51 -63.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.47 151.18 6.67 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -118.32 141.81 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.17 146.3 0.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.26 25.68 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.73 2.286 . . . . 0.0 112.329 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -82.94 87.75 6.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.34 139.16 54.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.1 t -90.43 106.35 18.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.56 -29.39 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 3.5 tp10 -48.83 -56.96 7.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -119.47 -40.37 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.07 34.68 1.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tptp -88.0 133.77 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 22' ' ' PHE . 82.5 t -105.47 143.49 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 6.2 m-85 -139.64 166.56 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -88.72 -35.35 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.76 168.84 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' LEU . 6.9 t-20 -70.31 -58.64 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.3 t -37.77 -35.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -70.87 -45.5 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' ASN . 14.0 tp -72.37 -52.9 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t -58.41 -38.51 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' SER . 23.0 t-20 -70.72 -21.57 62.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.5 t60 -76.1 -55.07 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -39.08 -25.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.2 mtt180 -50.36 -48.36 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -60.8 -20.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.9 m-70 -87.28 -39.75 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -91.25 98.55 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -168.15 -63.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' GLY . 3.9 mt-10 37.15 29.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -64.31 -59.88 9.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.567 0.698 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -48.0 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -108.47 94.85 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.62 70.78 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -33.12 16.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.2 p -108.51 168.61 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.2 t -130.47 133.79 46.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.551 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -133.52 42.09 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -65.56 -58.95 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.26 45.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -119.33 84.54 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 m -101.7 155.53 18.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.3 173.24 37.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m 55.63 41.77 30.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.92 133.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -140.32 113.25 8.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 5.8 pttp -116.65 63.38 2.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -0.08 6.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -73.72 110.41 7.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -139.74 109.04 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.0 t -51.04 144.44 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -101.21 -24.16 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 tm-20 -56.98 -44.67 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.91 -44.11 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.75 41.74 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -95.2 154.71 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -125.44 137.04 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -133.85 154.62 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.3 m -82.53 -50.45 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.511 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 27.7 mp0 -91.25 151.87 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.65 -46.2 80.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -49.65 -33.09 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.1 m170 -68.23 -35.54 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 tp -75.88 -66.89 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -47.99 -26.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -84.66 -32.42 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.2 t60 -62.75 -55.63 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -37.58 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 52.0 mtp85 -47.39 -53.73 13.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.3 pt -55.1 -22.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.513 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.0 m-70 -89.6 -38.0 14.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.91 109.26 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -127.03 99.42 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' GLY . 5.4 pt-20 34.46 41.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 43.3 tttp -133.13 56.35 21.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.7 107.43 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.742 2.295 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.5 m -61.31 123.68 18.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.97 -94.8 0.15 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 177.47 5.53 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -57.12 148.57 21.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.2 p -143.42 164.1 31.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 53.52 41.95 32.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -129.42 155.14 46.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.41 -177.65 35.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -148.17 176.53 10.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -161.06 148.09 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.62 89.85 0.98 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.4 m -91.65 166.61 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.63 -142.98 15.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -139.9 131.97 27.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -125.24 74.63 67.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.53 0.681 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -11.06 30.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -87.38 85.88 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -127.55 159.4 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.84 158.27 15.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.48 -33.19 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -56.69 -57.12 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -107.59 -45.83 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.78 32.03 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -81.58 164.15 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 22' ' ' PHE . 75.5 t -121.59 161.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' A' ' 28' ' ' LEU . 4.2 m-85 -156.72 157.17 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 24' ' ' GLN . 3.8 t -83.84 -42.64 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.435 ' N ' HG21 ' A' ' 23' ' ' THR . 6.6 mm100 -113.2 161.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.2 p-10 -62.05 -55.38 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 19.3 m -37.97 -49.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -58.62 -40.45 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 22' ' ' PHE . 31.2 tp -76.36 -64.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -47.62 -43.86 26.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' SER . 15.1 t-20 -66.18 -45.05 82.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -46.37 -48.03 18.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -42.8 -29.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -44.35 -54.68 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.8 pt -56.81 -23.98 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.2 m-70 -86.69 -37.59 17.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.9 p -82.55 106.61 14.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.56 39.66 1.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 7.0 tp10 -158.34 153.78 25.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.839 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 43.6 tttt 50.25 54.17 15.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.692 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.74 146.65 60.98 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t 70.28 44.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.17 -159.16 28.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.7 5.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -50.71 144.26 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 p -79.22 89.49 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.464 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 t -140.78 116.32 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 p -80.11 142.8 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.4 -125.72 0.79 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p 41.15 43.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -59.59 178.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.68 111.6 2.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -141.67 111.77 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.88 147.07 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -147.72 115.8 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -72.78 151.23 91.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.59 0.709 . . . . 0.0 110.881 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 1.81 4.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -126.75 118.05 23.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -143.69 127.64 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ASN . 36.2 t -76.49 69.25 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.3 m120 -34.72 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -43.95 -58.03 3.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -107.06 -41.44 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.65 19.55 3.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -77.87 160.88 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -135.14 139.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -138.36 170.94 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.0 m -98.16 -54.56 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.497 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 8.6 tp60 -83.13 147.42 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -65.64 -53.58 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -28.63 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 24' ' ' GLN . 30.9 m170 -68.78 -40.21 79.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -67.15 -61.18 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 t -51.71 -29.09 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.9 -51.13 14.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' TRP . 23.6 t60 -45.8 -50.68 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' HIS . 7.5 m95 -37.78 -37.15 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -48.46 -46.94 38.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -53.28 -34.47 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -72.27 -37.81 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.62 85.49 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.85 93.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -104.1 59.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.935 0.397 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 15.2 mttm -57.11 -60.0 10.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.72 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.4 Cg_endo -69.78 -173.32 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' PRO . 12.1 m -37.15 102.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.34 83.7 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.34 53.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.4 p -151.06 171.81 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -68.19 104.1 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -168.13 112.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -101.2 41.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.56 176.12 4.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -173.03 167.65 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 0.0 110.896 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -107.63 141.19 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.19 147.32 5.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -97.76 -56.15 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.846 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.69 102.76 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -85.59 92.57 8.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.958 0.409 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 47.5 mttt -44.24 138.64 3.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.689 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.21 20.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -94.61 87.85 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -120.0 149.59 41.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 16' ' ' ASN . 27.0 t -83.37 162.0 21.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.442 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 15.0 t30 -107.08 -34.84 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 5.4 tp10 -56.85 -43.0 80.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.44 -48.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 10.44 4.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 9.1 ttmt -52.4 162.13 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -128.24 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 4.0 m-85 -149.41 165.34 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 m -86.73 -56.14 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -92.93 162.71 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.7 t30 -66.76 -61.16 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.2 t -34.58 -50.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.2 tp -78.31 -59.66 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -48.13 -29.45 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 93.5 m-20 -86.76 -39.91 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.3 t60 -51.53 -35.76 41.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -56.3 -34.93 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.48 -35.54 65.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 pp -59.66 -26.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 44.7 m-70 -76.79 -32.03 57.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.2 p -77.49 -53.8 7.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -101.48 -177.61 28.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.518 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' GLY . 14.6 mm-40 36.95 30.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.952 0.406 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.513 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.9 OUTLIER -48.03 -58.54 7.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 173.71 10.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.26 . . . . 0.0 112.353 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.3 m -94.98 162.34 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.67 164.99 38.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 150.08 67.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.625 2.216 . . . . 0.0 112.331 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -72.28 166.29 22.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -128.39 164.06 23.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 47.3 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.972 0.415 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -144.99 128.32 16.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.8 t -59.74 120.39 9.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -95.11 36.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.571 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.7 mm-40 -126.57 -31.33 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -131.14 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.33 40.8 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -98.11 172.6 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -140.85 134.35 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.02 163.13 25.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -87.04 -41.54 13.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -107.0 173.92 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.8 t-20 -83.8 -51.42 7.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -48.09 -31.19 5.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -69.62 -49.8 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 15' ' ' CYS . 22.3 tp -60.68 -59.72 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.482 HG23 ' N ' ' A' ' 30' ' ' ASN . 8.8 t -47.31 -45.53 24.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.482 ' N ' HG23 ' A' ' 29' ' ' THR . 1.4 t30 -60.21 -54.96 39.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 26.9 t60 -42.3 -55.92 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 17' ' ' GLU . 8.5 m95 -34.39 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 33.3 mtp85 -45.27 -49.89 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 35' ' ' HIS . 2.2 pp -56.19 -31.76 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CE1' HD11 ' A' ' 34' ' ' ILE . 55.4 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.923 0.392 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -144.82 117.66 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.97 133.64 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -90.76 -27.46 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 35' ' ' HIS . 3.7 tp10 -52.52 -58.48 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.53 -46.44 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.51 42.64 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 tptm -92.33 158.29 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.3 137.97 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 2.5 m-85 -139.67 157.81 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.4 HG23 ' HG2' ' A' ' 24' ' ' GLN . 8.7 t -87.99 -40.04 14.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' HG2' HG23 ' A' ' 23' ' ' THR . 24.5 mm-40 -113.36 150.51 32.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' O ' HG22 ' A' ' 29' ' ' THR . 0.5 OUTLIER -59.7 -48.62 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.462 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 28.4 t -42.82 -37.11 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -70.66 -40.09 73.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.89 -65.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 25' ' ' ASN . 7.0 t -40.48 -38.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 13.4 m-80 -70.24 -49.04 54.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 36.3 t60 -44.93 -59.85 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.8 m95 -34.51 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.9 mmp_? -40.62 -52.38 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.6 pp -57.21 -33.69 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.513 ' N ' HD12 ' A' ' 34' ' ' ILE . 47.5 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.958 0.408 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -144.88 114.83 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -52.85 152.57 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -103.89 -32.98 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 72.2 mm-40 -54.27 -58.07 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.05 -45.36 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 34.0 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -83.45 171.45 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -132.57 135.72 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -133.18 149.65 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 p -76.04 -50.14 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -102.08 145.65 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.641 ' O ' HG22 ' A' ' 29' ' ' THR . 2.0 p-10 -57.59 -46.09 84.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 30.1 m -47.71 -40.59 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -64.24 -33.09 75.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.3 tp -82.99 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 25' ' ' ASN . 2.8 t -39.88 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 28' ' ' LEU . 18.2 t-20 -86.37 -47.05 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' TRP . 12.7 t60 -45.51 -57.13 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.0 m95 -36.2 -34.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 3.2 mmp_? -45.04 -48.23 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.469 HD12 ' C ' ' A' ' 34' ' ' ILE . 2.0 pp -57.81 -33.97 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.5 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -141.5 143.02 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.7 t -85.07 115.33 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -84.17 24.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.72 -38.77 5.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -131.52 -41.96 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 53.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 156.32 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.0 132.74 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -127.33 170.38 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -98.11 -30.3 12.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -113.22 158.22 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.708 ' O ' HG22 ' A' ' 29' ' ' THR . 0.9 OUTLIER -67.61 -45.43 75.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 14.6 t -52.36 -43.52 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -39.97 79.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.16 -65.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 25' ' ' ASN . 4.8 t -48.36 -34.9 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 26' ' ' SER . 27.7 t-20 -75.83 -45.24 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' TRP . 41.3 t60 -44.37 -55.71 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.2 m95 -34.39 -38.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -47.04 -49.94 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.476 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.9 pp -47.84 -35.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.43 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.0 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 89.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.932 0.396 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.13 138.7 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.8 t -80.83 140.31 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -99.97 -26.73 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -55.43 -41.96 73.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.62 -47.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.74 1.06 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -77.47 161.29 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.319 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -133.12 145.76 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -145.17 158.03 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.0 p -78.7 -54.94 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -89.0 173.79 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -83.47 -45.43 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 p -55.41 -27.88 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -67.08 -40.97 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.0 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 m -43.46 -44.99 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.93 -51.9 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' TRP . 42.2 t60 -41.18 -55.77 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.6 m95 -34.43 -36.36 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.0 mtp85 -43.85 -49.63 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.9 pp -57.68 -35.29 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 11.6 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 98.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.948 0.404 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -138.98 142.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' ASN . 33.7 t -98.22 76.25 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.1 t-20 -36.52 -36.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 6.3 tm-20 -42.8 -64.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -107.03 -40.03 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.18 34.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.85 155.61 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.7 t -130.68 136.38 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.5 173.65 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.619 HG23 ' HG3' ' A' ' 24' ' ' GLN . 9.3 t -101.24 -30.18 11.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 23' ' ' THR . 51.3 mt-30 -116.23 141.75 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.513 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 10.4 t-20 -54.58 -56.36 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.44 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 4.2 t -39.54 -42.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -45.23 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.75 -67.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 25' ' ' ASN . 3.2 t -41.77 -27.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 3.2 t30 -83.14 -51.46 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' HD11 ' A' ' 34' ' ' ILE . 64.3 t60 -44.78 -52.92 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 9.0 m95 -36.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.3 mtp180 -42.97 -57.65 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.54 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -51.74 -26.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CE1' ' OE1' ' A' ' 17' ' ' GLU . 53.4 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.943 0.401 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -144.93 129.69 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.1 t -81.79 88.55 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -50.21 -34.42 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 3.0 tp10 -44.04 -61.7 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.16 -41.17 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 116.44 49.44 0.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.58 159.66 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -132.6 136.19 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 24.5 m-85 -131.56 166.38 21.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 24' ' ' GLN . 9.7 t -90.57 -37.01 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HG3' HG23 ' A' ' 23' ' ' THR . 76.9 mt-30 -102.93 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -85.06 -46.8 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -53.25 -38.61 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -56.18 -44.4 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.45 -47.64 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -57.86 -39.72 78.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -70.13 -47.09 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.9 t60 -46.32 -54.49 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.1 m95 -37.76 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 74.1 mtt180 -47.56 -55.38 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -53.14 -23.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.465 ' CD2' ' HG2' ' A' ' 17' ' ' GLU . 39.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.673 ' HB3' HD22 ' A' ' 28' ' ' LEU . 39.9 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.925 0.393 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD2' HG22 ' A' ' 21' ' ' VAL . 43.2 tttm -142.34 127.9 19.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -67.16 162.12 23.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -116.6 -35.6 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' OE1' ' CZ3' ' A' ' 32' ' ' TRP . 2.9 mp0 -51.08 -41.51 60.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -119.56 -42.11 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.36 19.08 7.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 32.1 tttp -69.47 152.68 44.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.432 HG22 ' HD2' ' A' ' 14' ' ' LYS . 60.3 t -118.52 142.3 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 8.8 m-85 -133.85 173.26 11.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.1 m -107.25 -49.78 3.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -97.54 146.73 24.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -61.83 -38.09 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -62.06 -8.91 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -30.85 12.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 13' ' ' TYR . 54.1 tp -76.14 -61.56 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 25' ' ' ASN . 8.6 t -55.44 -29.18 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 21.2 t-20 -74.92 -39.39 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 34' ' ' ILE . 41.3 t60 -58.69 -52.15 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' ' OE1' ' A' ' 17' ' ' GLU . 13.4 m95 -41.65 -24.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.1 mtp85 -50.99 -44.86 60.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.487 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -67.77 -13.72 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.966 0.412 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.708 ' HG3' HG22 ' A' ' 21' ' ' VAL . 13.4 ttpt -144.78 124.18 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.77 115.99 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -86.09 34.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -128.43 -34.21 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.74 -38.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.63 29.0 2.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -88.41 156.44 19.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.708 HG22 ' HG3' ' A' ' 14' ' ' LYS . 47.7 t -132.33 143.7 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -135.71 169.57 17.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.1 p -79.87 -56.16 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -106.67 167.02 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 18.6 t30 -70.33 -52.56 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -43.3 -23.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.4 tp -66.34 -59.17 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -50.75 -33.54 23.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.76 -38.38 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 46.6 t60 -64.1 -57.16 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -35.49 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 47.3 mtp180 -47.01 -48.89 21.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 34' ' ' ILE . 2.2 pp -57.62 -31.09 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' HD12 ' A' ' 34' ' ' ILE . 36.0 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 48.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -140.99 121.03 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.0 t -54.1 153.55 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -108.48 -24.96 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.46 -45.4 91.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -117.33 -40.09 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.14 15.84 10.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -71.82 137.26 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -107.33 147.49 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -133.5 177.03 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.8 m -93.13 -61.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -97.45 150.9 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.4 p-10 -62.6 -37.09 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -57.38 -14.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -91.06 -36.44 14.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . 8.8 tp -78.19 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 25' ' ' ASN . 12.8 t -43.2 -25.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -93.05 -28.92 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.8 t60 -59.75 -45.63 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -45.5 -21.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 55.9 mtt-85 -53.54 -51.71 62.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 31' ' ' HIS . 5.9 pt -60.14 -13.92 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.943 0.401 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -144.91 120.39 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -61.75 160.01 12.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -110.29 -40.63 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 32' ' ' TRP . 12.6 mp0 -47.65 -55.77 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.85 -43.84 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.05 32.75 2.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -81.37 174.33 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.2 t -138.57 141.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -138.07 146.58 43.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.1 p -73.76 -42.53 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.26 148.31 26.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.563 ' O ' HG22 ' A' ' 29' ' ' THR . 8.1 p-10 -61.52 -49.28 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 5.5 t -43.85 -39.36 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.21 -43.7 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.64 -60.16 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 25' ' ' ASN . 4.5 t -49.86 -29.81 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 31.6 t30 -78.26 -48.76 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.6 t60 -48.86 -57.78 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 17' ' ' GLU . 11.1 m95 -35.88 -34.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 25.9 mmt180 -42.27 -53.97 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.2 pp -55.29 -36.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 24.1 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 92.3 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -131.77 134.33 45.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 111.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -84.62 31.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.94 -38.57 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.77 -42.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.99 39.48 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.98 154.25 17.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.09 144.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -139.91 175.92 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 m -94.89 -59.7 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -103.12 140.98 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.3 t-20 -41.37 -53.29 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -38.48 -47.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -44.71 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' ASN . 28.6 tp -69.19 -67.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 25' ' ' ASN . 6.3 t -42.11 -30.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -74.49 -44.8 49.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.478 ' NE2' HD11 ' A' ' 34' ' ' ILE . 21.0 t-80 -49.72 -52.43 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' HIS . 12.6 m95 -37.02 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 33' ' ' ARG . 20.5 mtm105 -43.21 -49.27 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.482 HG13 ' N ' ' A' ' 35' ' ' HIS . 7.0 pt -63.83 -26.81 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.482 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.3 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 66.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.936 0.398 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -143.47 132.5 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.12 151.99 38.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -107.79 -33.19 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -52.48 -49.67 64.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -120.65 -44.96 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.47 83.37 1.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -140.88 147.51 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -109.87 143.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -130.62 157.94 41.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.3 p -71.58 -46.5 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -110.73 170.49 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.522 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 28.5 t-20 -75.6 -43.91 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -51.53 -46.74 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -49.35 -45.03 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -67.16 -58.18 5.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -43.44 -44.15 5.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.442 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 48.0 m-20 -67.42 -35.65 79.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.4 t60 -61.86 -62.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -36.03 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 94.7 mtt180 -46.19 -53.35 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.9 pt -53.47 -24.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 36.3 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.968 0.414 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.68 131.42 22.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 t -70.45 131.2 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -92.61 -16.19 25.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.5 tm-20 -63.5 -56.52 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.43 -35.86 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.25 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -64.46 -174.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -157.29 137.97 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -139.93 175.49 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -99.56 -48.32 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -103.41 151.96 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -59.03 -51.76 68.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -40.37 -40.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -47.83 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' HIS . 57.2 tp -66.15 -68.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -41.27 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LEU . 67.9 m-20 -89.04 -36.92 15.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 45.6 t60 -56.23 -41.02 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -47.98 -20.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -54.06 -59.04 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.439 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.2 pt -52.37 -21.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 6.9 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.944 0.402 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -118.68 156.19 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -88.53 149.13 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -112.86 34.62 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.36 -33.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -132.51 -39.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.89 27.18 3.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.551 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.2 tptt -77.54 158.42 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.45 145.45 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -147.47 177.96 8.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m -103.41 -58.77 1.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -89.02 144.51 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.514 ' O ' HG22 ' A' ' 29' ' ' THR . 11.4 t30 -54.94 -51.03 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.481 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 27.4 t -45.39 -46.32 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -33.84 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' HIS . 15.5 tp -82.21 -63.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 25' ' ' ASN . 6.0 t -45.02 -29.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -80.02 -34.76 38.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 28' ' ' LEU . 36.3 t60 -58.28 -42.25 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.15 -17.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -55.07 -52.77 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -59.81 -9.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.34 139.16 54.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.1 t -90.43 106.35 18.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.56 -29.39 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 3.5 tp10 -48.83 -56.96 7.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -119.47 -40.37 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.07 34.68 1.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tptp -88.0 133.77 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.47 143.49 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 6.2 m-85 -139.64 166.56 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -88.72 -35.35 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.76 168.84 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' LEU . 9.0 t30 -70.31 -58.64 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.3 t -37.77 -35.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.87 -45.5 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' ASN . 14.0 tp -72.37 -52.9 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 26' ' ' SER . 14.3 t -58.41 -38.51 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' SER . 23.0 t-20 -70.72 -21.57 62.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.5 t60 -76.1 -55.07 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -39.08 -25.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.2 mtt180 -50.36 -48.36 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -60.8 -20.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.817 ' HB3' HD22 ' A' ' 28' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -139.74 109.04 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.0 t -51.04 144.44 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -101.21 -24.16 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 tm-20 -56.98 -44.67 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.91 -44.11 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.75 41.74 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -95.2 154.71 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -125.44 137.04 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -133.85 154.62 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.3 m -82.53 -50.45 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.527 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 3.1 mp0 -91.25 151.87 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.65 -46.2 80.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -49.65 -33.09 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.527 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -68.23 -35.54 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.9 tp -75.88 -66.89 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -47.99 -26.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -84.66 -32.42 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.2 t60 -62.75 -55.63 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -37.58 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 52.0 mtp85 -47.39 -53.73 13.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.3 pt -55.1 -22.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.0 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.967 0.413 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -127.55 159.4 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.84 158.27 15.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.48 -33.19 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -56.69 -57.12 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -107.59 -45.83 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.78 32.03 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -81.58 164.15 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG12 ' N ' ' A' ' 22' ' ' PHE . 75.5 t -121.59 161.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' N ' HG12 ' A' ' 21' ' ' VAL . 4.2 m-85 -156.72 157.17 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 t -83.84 -42.64 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -113.2 161.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.512 ' O ' HG22 ' A' ' 29' ' ' THR . 22.2 p-10 -62.05 -55.38 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 19.3 m -37.97 -49.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -40.45 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASN . 31.2 tp -76.36 -64.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 25' ' ' ASN . 9.2 t -47.62 -43.86 26.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.445 ' N ' HG23 ' A' ' 29' ' ' THR . 15.1 t-20 -66.18 -45.05 82.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' HG12 ' A' ' 34' ' ' ILE . 8.9 t60 -46.37 -48.03 18.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -42.8 -29.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -44.35 -54.68 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.8 pt -56.81 -23.98 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.2 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.935 0.398 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -143.69 127.64 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ASN . 36.2 t -76.49 69.25 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.3 m120 -34.72 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -43.95 -58.03 3.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -107.06 -41.44 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.65 19.55 3.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -77.87 160.88 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -135.14 139.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -138.36 170.94 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.0 m -98.16 -54.56 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 8.6 tp60 -83.13 147.42 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -65.64 -53.58 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -28.63 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 24' ' ' GLN . 30.9 m170 -68.78 -40.21 79.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -67.15 -61.18 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 t -51.71 -29.09 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.9 -51.13 14.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' TRP . 23.6 t60 -45.8 -50.68 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' HIS . 7.5 m95 -37.78 -37.15 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -48.46 -46.94 38.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -53.28 -34.47 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CE1' HD11 ' A' ' 34' ' ' ILE . 29.6 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.956 0.408 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HG3' HG22 ' A' ' 21' ' ' VAL . 3.5 ttpm? -120.0 149.59 41.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 16' ' ' ASN . 27.0 t -83.37 162.0 21.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.442 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 15.0 t30 -107.08 -34.84 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 5.4 tp10 -56.85 -43.0 80.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.44 -48.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 10.44 4.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 9.1 ttmt -52.4 162.13 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 14' ' ' LYS . 60.5 t -128.24 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 4.0 m-85 -149.41 165.34 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 m -86.73 -56.14 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -92.93 162.71 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.7 t30 -66.76 -61.16 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.2 t -34.58 -50.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.2 tp -78.31 -59.66 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -48.13 -29.45 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -86.76 -39.91 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.3 t60 -51.53 -35.76 41.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -56.3 -34.93 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.48 -35.54 65.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.1 pp -59.66 -26.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 44.7 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -131.64 129.41 40.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -98.22 114.8 27.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.49 65.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -121.9 130.74 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -96.15 175.88 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.83 -82.62 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 m -62.21 -55.74 25.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.57 -64.64 3.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.559 ' OE2' HG21 ' A' ' 21' ' ' VAL . 13.2 mm-40 -54.24 162.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -78.3 158.98 76.08 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.555 0.693 . . . . 0.0 110.924 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.73 -14.77 36.65 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.3 m-85 -111.17 119.85 40.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -144.99 128.32 16.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.8 t -59.74 120.39 9.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -95.11 36.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.571 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.7 mm-40 -126.57 -31.33 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -131.14 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.33 40.8 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -98.11 172.6 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.559 HG21 ' OE2' ' A' ' 10' ' ' GLU . 96.2 t -140.85 134.35 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.02 163.13 25.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -87.04 -41.54 13.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -107.0 173.92 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.8 t-20 -83.8 -51.42 7.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -48.09 -31.19 5.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -69.62 -49.8 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 15' ' ' CYS . 22.3 tp -60.68 -59.72 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.482 HG23 ' N ' ' A' ' 30' ' ' ASN . 8.8 t -47.31 -45.53 24.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.482 ' N ' HG23 ' A' ' 29' ' ' THR . 1.4 t30 -60.21 -54.96 39.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 26.9 t60 -42.3 -55.92 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 17' ' ' GLU . 8.5 m95 -34.39 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 33.3 mtp85 -45.27 -49.89 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 35' ' ' HIS . 2.2 pp -56.19 -31.76 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CE1' HD11 ' A' ' 34' ' ' ILE . 55.4 m-70 -75.97 -41.46 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.4 p -79.43 81.96 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.78 -155.26 25.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.438 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 73.36 49.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.926 0.393 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 23.8 mtmm 58.72 54.81 5.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.74 -7.05 20.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 t -96.64 91.78 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.95 -167.55 33.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.69 10.35 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.742 2.295 . . . . 0.0 112.369 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 t -54.08 137.39 40.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 81.5 p -93.73 -47.32 6.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.462 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -128.38 92.56 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -106.22 167.21 9.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.94 45.73 2.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -163.52 127.25 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -110.2 137.41 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.19 -87.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 p -47.59 156.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.14 72.58 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -96.91 139.38 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.676 ' HD2' HG12 ' A' ' 21' ' ' VAL . 11.4 mttp -86.27 152.37 55.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.82 0.13 6.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.491 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 75.4 m-85 -126.32 109.58 12.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -144.82 117.66 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.97 133.64 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -90.76 -27.46 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 35' ' ' HIS . 3.7 tp10 -52.52 -58.48 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.53 -46.44 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.51 42.64 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 tptm -92.33 158.29 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.676 HG12 ' HD2' ' A' ' 11' ' ' LYS . 85.9 t -126.3 137.97 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 2.5 m-85 -139.67 157.81 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.435 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 8.7 t -87.99 -40.04 14.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' HG2' HG23 ' A' ' 23' ' ' THR . 24.5 mm-40 -113.36 150.51 32.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' O ' HG22 ' A' ' 29' ' ' THR . 0.5 OUTLIER -59.7 -48.62 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.462 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 28.4 t -42.82 -37.11 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -70.66 -40.09 73.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.89 -65.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 25' ' ' ASN . 7.0 t -40.48 -38.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 13.4 m-80 -70.24 -49.04 54.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 36.3 t60 -44.93 -59.85 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.8 m95 -34.51 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.9 mmp_? -40.62 -52.38 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.6 pp -57.21 -33.69 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.513 ' N ' HD12 ' A' ' 34' ' ' ILE . 47.5 m-70 -73.29 -39.69 65.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.2 p -79.78 82.79 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.67 -48.47 0.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -79.47 45.19 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.945 0.402 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -134.76 56.97 19.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.703 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.23 3.69 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.703 2.268 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 p -89.63 153.21 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.14 171.03 29.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.2 3.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -143.81 160.69 40.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.8 t -157.97 137.56 12.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.457 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -116.29 141.65 47.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -132.82 107.74 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.0 -44.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -91.71 108.48 19.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -141.37 123.65 15.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.69 118.85 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 t -114.53 44.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 0.0 110.839 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.02 70.39 1.08 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -140.35 115.12 9.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 0.0 110.941 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -75.1 161.14 78.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 110.927 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.8 -8.36 23.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.463 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 83.0 m-85 -119.69 117.07 27.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -144.88 114.83 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -52.85 152.57 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -103.89 -32.98 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 72.2 mm-40 -54.27 -58.07 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.05 -45.36 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 34.0 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -83.45 171.45 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 91.1 t -132.57 135.72 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -133.18 149.65 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 p -76.04 -50.14 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -102.08 145.65 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.641 ' O ' HG22 ' A' ' 29' ' ' THR . 2.0 p-10 -57.59 -46.09 84.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 30.1 m -47.71 -40.59 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -64.24 -33.09 75.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.3 tp -82.99 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 25' ' ' ASN . 2.8 t -39.88 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 28' ' ' LEU . 18.2 t-20 -86.37 -47.05 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' TRP . 12.7 t60 -45.51 -57.13 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.0 m95 -36.2 -34.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 3.2 mmp_? -45.04 -48.23 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.469 HD12 ' C ' ' A' ' 34' ' ' ILE . 2.0 pp -57.81 -33.97 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.5 m-70 -71.92 -35.2 69.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 p -83.21 45.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.2 -27.99 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' LYS . 8.3 tp10 -86.72 43.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER 34.51 54.72 1.73 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.876 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.75 1.92 3.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -94.33 151.74 19.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.7 -90.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 159.43 53.42 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t 59.0 42.38 19.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.8 p -53.61 -47.96 69.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.5 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -146.9 146.1 30.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.364 . . . . 0.0 110.897 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -117.26 131.23 56.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.79 -50.5 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -62.22 139.97 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -172.4 155.34 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.76 -75.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.2 p -64.96 108.26 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.85 144.24 16.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -68.19 161.12 27.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -109.99 161.45 24.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.553 0.692 . . . . 0.0 110.904 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.73 -10.19 27.97 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 86.3 m-85 -112.52 116.06 29.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -141.5 143.02 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.7 t -85.07 115.33 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -84.17 24.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.72 -38.77 5.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -131.52 -41.96 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 53.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 156.32 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 85.4 t -131.0 132.74 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -127.33 170.38 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -98.11 -30.3 12.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -113.22 158.22 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.708 ' O ' HG22 ' A' ' 29' ' ' THR . 0.9 OUTLIER -67.61 -45.43 75.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 14.6 t -52.36 -43.52 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -39.97 79.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.16 -65.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 25' ' ' ASN . 4.8 t -48.36 -34.9 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 26' ' ' SER . 27.7 t-20 -75.83 -45.24 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' TRP . 41.3 t60 -44.37 -55.71 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.2 m95 -34.39 -38.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -47.04 -49.94 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.476 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.9 pp -47.84 -35.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.43 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.0 m-70 -72.97 -40.05 65.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.9 p -88.54 92.16 9.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.15 173.26 43.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -90.79 42.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -135.0 57.28 20.27 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 125.19 11.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -98.09 139.37 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.76 -95.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.14 6.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -48.59 118.48 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -92.07 105.75 17.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 m -45.97 121.6 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -127.44 114.42 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.51 95.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -92.67 148.38 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.827 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -143.43 146.77 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.73 99.15 0.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -67.06 -35.03 78.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.27 -170.5 43.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -89.88 121.64 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -72.43 155.56 91.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.19 3.75 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 89.7 m-85 -134.92 94.97 3.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.13 138.7 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.8 t -80.83 140.31 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -99.97 -26.73 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -55.43 -41.96 73.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.62 -47.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.74 1.06 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -77.47 161.29 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.319 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -133.12 145.76 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -145.17 158.03 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.0 p -78.7 -54.94 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -89.0 173.79 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -83.47 -45.43 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 p -55.41 -27.88 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -67.08 -40.97 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.0 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 m -43.46 -44.99 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.93 -51.9 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' TRP . 42.2 t60 -41.18 -55.77 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.6 m95 -34.43 -36.36 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.0 mtp85 -43.85 -49.63 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.9 pp -57.68 -35.29 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 11.6 m-70 -69.86 -38.15 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 36' ' ' THR . 8.8 t -141.75 115.46 9.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.71 174.38 30.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -102.18 120.99 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 22.2 ttpt 50.93 54.3 15.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.77 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 t -134.78 89.73 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.39 86.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 86.32 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -87.62 174.78 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.0 t -115.97 149.21 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.464 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -86.7 136.21 33.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -81.9 -44.6 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.85 -108.58 3.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -152.25 165.0 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.793 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -95.39 42.23 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.6 79.08 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -46.93 134.29 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.72 89.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -89.9 117.83 29.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -115.19 161.51 29.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.82 3.18 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 98.8 m-85 -124.28 118.84 27.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -138.98 142.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' ASN . 33.7 t -98.22 76.25 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.1 t-20 -36.52 -36.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 6.3 tm-20 -42.8 -64.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -107.03 -40.03 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.18 34.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.85 155.61 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 96.7 t -130.68 136.38 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.5 173.65 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.619 HG23 ' HG3' ' A' ' 24' ' ' GLN . 9.3 t -101.24 -30.18 11.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 23' ' ' THR . 51.3 mt-30 -116.23 141.75 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.513 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 10.4 t-20 -54.58 -56.36 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.44 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 4.2 t -39.54 -42.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -45.23 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.75 -67.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 25' ' ' ASN . 3.2 t -41.77 -27.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 3.2 t30 -83.14 -51.46 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' HD11 ' A' ' 34' ' ' ILE . 64.3 t60 -44.78 -52.92 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 9.0 m95 -36.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.3 mtp180 -42.97 -57.65 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.54 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -51.74 -26.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CE1' ' OE1' ' A' ' 17' ' ' GLU . 53.4 m-70 -85.87 -36.95 19.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.1 p -72.54 112.03 8.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.48 175.94 47.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.4 -1.61 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 18.2 mtmm -133.75 56.01 18.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.696 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.2 Cg_endo -69.72 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' PRO . 33.6 m 34.41 42.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.04 -158.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 178.44 4.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.7 m -53.58 103.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.7 p -105.7 -44.85 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.495 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -50.18 -60.91 2.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 0.0 110.824 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -82.01 142.61 32.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.67 49.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -131.42 42.14 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -120.08 175.64 5.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.82 91.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.1 m -63.54 139.18 58.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.833 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.37 -155.86 14.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 55.8 36.62 27.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' HG11 ' A' ' 21' ' ' VAL . 4.3 mptp? -41.79 157.78 0.2 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.551 0.691 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.1 Cg_endo -69.76 2.82 3.19 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.404 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 64.9 m-85 -131.97 116.86 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -144.93 129.69 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.1 t -81.79 88.55 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -50.21 -34.42 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 3.0 tp10 -44.04 -61.7 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.16 -41.17 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 116.44 49.44 0.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.58 159.66 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.426 HG11 ' HD3' ' A' ' 11' ' ' LYS . 53.2 t -132.6 136.19 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 24.5 m-85 -131.56 166.38 21.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 24' ' ' GLN . 9.7 t -90.57 -37.01 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HG3' HG23 ' A' ' 23' ' ' THR . 76.9 mt-30 -102.93 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -85.06 -46.8 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -53.25 -38.61 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -56.18 -44.4 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.45 -47.64 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -57.86 -39.72 78.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -70.13 -47.09 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.9 t60 -46.32 -54.49 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.1 m95 -37.76 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 74.1 mtt180 -47.56 -55.38 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -53.14 -23.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.465 ' CD2' ' HG2' ' A' ' 17' ' ' GLU . 39.2 m-70 -89.2 -38.38 14.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.5 p -87.45 87.64 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.73 -154.88 6.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 39' ' ' LYS . 24.7 mp0 -107.51 136.19 47.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 38' ' ' GLU . 16.6 ptmt 34.44 54.66 1.69 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.74 1.95 3.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.233 . . . . 0.0 112.39 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.9 p -73.48 146.61 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.02 -93.73 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 98.17 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -132.96 132.57 42.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 t -155.84 147.32 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.487 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 66.94 42.41 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -93.85 169.8 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.46 127.48 0.97 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -173.26 133.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p -174.98 110.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.22 111.93 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -92.18 118.35 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.933 0.396 . . . . 0.0 110.807 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.36 115.5 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -78.89 148.21 32.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -110.45 81.01 2.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.544 0.688 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.76 2.88 3.14 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.673 ' HB3' HD22 ' A' ' 28' ' ' LEU . 39.9 m-85 -156.35 107.18 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD2' HG22 ' A' ' 21' ' ' VAL . 43.2 tttm -142.34 127.9 19.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -67.16 162.12 23.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -116.6 -35.6 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' OE1' ' CZ3' ' A' ' 32' ' ' TRP . 2.9 mp0 -51.08 -41.51 60.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -119.56 -42.11 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.36 19.08 7.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 32.1 tttp -69.47 152.68 44.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.432 HG22 ' HD2' ' A' ' 14' ' ' LYS . 60.3 t -118.52 142.3 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 8.8 m-85 -133.85 173.26 11.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.1 m -107.25 -49.78 3.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -97.54 146.73 24.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -61.83 -38.09 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -62.06 -8.91 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -30.85 12.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 13' ' ' TYR . 54.1 tp -76.14 -61.56 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 25' ' ' ASN . 8.6 t -55.44 -29.18 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 21.2 t-20 -74.92 -39.39 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 34' ' ' ILE . 41.3 t60 -58.69 -52.15 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' ' OE1' ' A' ' 17' ' ' GLU . 13.4 m95 -41.65 -24.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.1 mtp85 -50.99 -44.86 60.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.487 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -67.77 -13.72 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -94.98 -27.21 15.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 36' ' ' THR . 10.2 t -149.98 117.07 5.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.71 48.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.458 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.68 94.47 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 6.1 ttpt -39.5 -59.79 1.49 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.78 111.79 2.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.295 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.1 m -130.23 43.93 3.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.43 -171.93 36.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.1 t -35.0 121.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 t -74.92 131.23 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -148.84 155.49 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -103.09 123.19 46.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.41 178.91 17.96 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -123.3 152.93 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -58.56 -45.99 87.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.02 -78.64 0.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -132.35 44.05 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.58 80.04 0.35 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -164.13 152.71 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -123.66 143.92 43.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.687 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.76 1.74 4.16 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 2.281 . . . . 0.0 112.332 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 50.8 m-85 -120.12 110.51 16.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.708 ' HG3' HG22 ' A' ' 21' ' ' VAL . 13.4 ttpt -144.78 124.18 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.77 115.99 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -86.09 34.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -128.43 -34.21 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.74 -38.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.63 29.0 2.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -88.41 156.44 19.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.708 HG22 ' HG3' ' A' ' 14' ' ' LYS . 47.7 t -132.33 143.7 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -135.71 169.57 17.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.1 p -79.87 -56.16 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -106.67 167.02 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 18.6 t30 -70.33 -52.56 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -43.3 -23.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.4 tp -66.34 -59.17 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -50.75 -33.54 23.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.76 -38.38 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 46.6 t60 -64.1 -57.16 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -35.49 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 47.3 mtp180 -47.01 -48.89 21.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 34' ' ' ILE . 2.2 pp -57.62 -31.09 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' HD12 ' A' ' 34' ' ' ILE . 36.0 m-70 -75.67 -35.8 60.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -91.47 112.8 24.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.48 72.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -89.23 65.57 7.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 8.1 tttm -40.02 -60.04 1.57 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.8 163.3 38.83 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -85.79 133.36 33.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.03 -158.26 24.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -0.66 7.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.7 p -150.57 118.62 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 m -67.01 -50.95 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.473 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p 42.53 42.17 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -136.7 134.51 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.25 114.37 3.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -90.32 83.07 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -169.9 141.65 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.18 -135.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 p -81.54 89.69 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.7 -48.17 17.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.91 131.61 34.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.848 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.29 149.88 18.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.76 2.23 3.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 48.6 m-85 -130.49 105.64 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -140.99 121.03 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.0 t -54.1 153.55 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -108.48 -24.96 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.46 -45.4 91.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -117.33 -40.09 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.14 15.84 10.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -71.82 137.26 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -107.33 147.49 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -133.5 177.03 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.8 m -93.13 -61.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -97.45 150.9 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.4 p-10 -62.6 -37.09 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -57.38 -14.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -91.06 -36.44 14.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . 8.8 tp -78.19 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 25' ' ' ASN . 12.8 t -43.2 -25.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -93.05 -28.92 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.8 t60 -59.75 -45.63 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -45.5 -21.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 55.9 mtt-85 -53.54 -51.71 62.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 31' ' ' HIS . 5.9 pt -60.14 -13.92 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -95.25 -38.63 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 p -84.93 134.95 34.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.04 47.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.25 142.53 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -47.54 -59.74 5.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 0.0 110.94 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.79 96.13 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 p -62.36 -58.06 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.29 145.82 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -177.04 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.5 m -45.98 -64.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 t -95.87 146.92 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.457 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -82.11 115.55 21.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.351 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.7 p -111.69 87.75 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.76 163.32 36.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -72.81 -47.18 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t 72.23 42.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.11 174.82 16.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.4 m -78.86 136.0 37.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.51 142.98 4.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -166.84 143.29 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 1.6 tppp? -100.37 135.12 20.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.481 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -7.04 20.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.359 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.1 m-85 -131.06 106.78 8.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -144.91 120.39 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -61.75 160.01 12.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -110.29 -40.63 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 32' ' ' TRP . 12.6 mp0 -47.65 -55.77 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.85 -43.84 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.05 32.75 2.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -81.37 174.33 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' CG1' ' HG2' ' A' ' 11' ' ' LYS . 93.2 t -138.57 141.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -138.07 146.58 43.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.1 p -73.76 -42.53 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.26 148.31 26.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' O ' HG22 ' A' ' 29' ' ' THR . 8.1 p-10 -61.52 -49.28 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 5.5 t -43.85 -39.36 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.21 -43.7 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.64 -60.16 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 25' ' ' ASN . 4.5 t -49.86 -29.81 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 31.6 t30 -78.26 -48.76 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.6 t60 -48.86 -57.78 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 17' ' ' GLU . 11.1 m95 -35.88 -34.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 25.9 mmt180 -42.27 -53.97 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.2 pp -55.29 -36.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 24.1 m-70 -70.28 -41.18 73.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.1 p -76.28 91.63 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.31 -90.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -80.56 159.18 25.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -134.74 57.2 20.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -174.74 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 p -49.86 159.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.68 -168.87 15.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.75 2.43 3.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 43' ' ' PRO . 52.5 m -34.94 119.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -89.72 85.34 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.471 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -129.33 128.32 42.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -153.24 177.12 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.01 137.99 4.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -164.78 145.11 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 0.0 110.807 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -147.62 160.53 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.61 113.81 1.73 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.7 p -148.26 141.91 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.63 65.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -97.05 146.15 25.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -125.06 158.53 62.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.669 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -0.28 6.68 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 92.3 m-85 -133.27 96.92 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -131.77 134.33 45.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 111.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -84.62 31.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.94 -38.57 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.77 -42.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.99 39.48 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -97.98 154.25 17.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.09 144.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -139.91 175.92 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 m -94.89 -59.7 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -103.12 140.98 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.3 t-20 -41.37 -53.29 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -38.48 -47.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -44.71 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' ASN . 28.6 tp -69.19 -67.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 25' ' ' ASN . 6.3 t -42.11 -30.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -74.49 -44.8 49.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.678 ' CE1' HD11 ' A' ' 34' ' ' ILE . 63.3 t60 -49.72 -52.43 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' HIS . 12.6 m95 -37.02 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 33' ' ' ARG . 20.5 mtm105 -43.21 -49.27 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.678 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.0 pt -63.83 -26.81 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.482 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.3 m-70 -79.33 -36.72 39.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -77.15 -42.05 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.18 -171.57 6.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -92.73 91.88 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 26.1 tptt -134.28 56.95 20.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.71 102.94 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.9 t -44.83 145.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.46 83.41 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 91.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -84.08 120.13 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -98.16 86.54 3.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.474 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m 52.89 41.99 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -114.83 135.23 54.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.04 -127.44 5.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 m -123.16 43.59 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -63.33 142.72 58.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.76 -103.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.7 p -90.38 43.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 40.39 -130.45 2.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -105.42 159.76 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 2.4 mptt -73.67 161.47 78.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.516 0.674 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.79 3.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.274 . . . . 0.0 112.327 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 66.5 m-85 -135.21 108.28 7.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -143.47 132.5 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.12 151.99 38.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -107.79 -33.19 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -52.48 -49.67 64.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -120.65 -44.96 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.47 83.37 1.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -140.88 147.51 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 46.6 t -109.87 143.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -130.62 157.94 41.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.3 p -71.58 -46.5 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -110.73 170.49 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.522 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 28.5 t-20 -75.6 -43.91 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -51.53 -46.74 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -49.35 -45.03 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -67.16 -58.18 5.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -43.44 -44.15 5.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.442 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 48.0 m-20 -67.42 -35.65 79.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.4 t60 -61.86 -62.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -36.03 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 94.7 mtt180 -46.19 -53.35 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.9 pt -53.47 -24.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 36.3 m-70 -86.96 -37.3 17.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.5 p -97.26 102.15 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.62 -160.03 25.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' C ' ' A' ' 39' ' ' LYS . 1.1 pm0 -85.59 58.22 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER 30.43 54.51 0.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.89 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.74 -41.67 4.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 m -143.95 130.19 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.86 177.18 38.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.39 19.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -112.34 123.57 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.4 p -66.3 156.46 34.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t -164.03 127.13 2.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 m -80.55 93.29 6.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.94 130.17 3.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -129.1 112.96 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -41.67 -55.23 3.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 108.22 0.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 p -57.19 -62.48 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.06 98.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 19.2 mp0 -99.48 79.92 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -92.54 148.6 36.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.559 0.695 . . . . 0.0 110.923 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.68 0.81 5.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.473 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 61.9 m-85 -140.25 116.25 10.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.68 131.42 22.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 t -70.45 131.2 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -92.61 -16.19 25.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.5 tm-20 -63.5 -56.52 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.43 -35.86 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.25 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -64.46 -174.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -157.29 137.97 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -139.93 175.49 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -99.56 -48.32 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -103.41 151.96 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -59.03 -51.76 68.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -40.37 -40.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -47.83 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' HIS . 57.2 tp -66.15 -68.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -41.27 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LEU . 67.9 m-20 -89.04 -36.92 15.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 45.6 t60 -56.23 -41.02 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -47.98 -20.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -54.06 -59.04 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.439 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.2 pt -52.37 -21.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 6.9 m-70 -86.81 -29.95 21.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.0 p -97.8 94.02 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.83 -39.48 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.418 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.65 75.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 28.9 tttt -58.7 -60.04 11.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.73 155.19 66.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -87.57 109.14 19.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.09 -179.49 27.3 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.65 23.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p -89.38 93.61 9.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -85.76 131.77 34.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -136.83 109.51 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -163.83 118.18 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.01 -49.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -50.62 123.78 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -49.68 -51.64 36.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.87 117.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -112.27 42.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.91 60.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -127.64 86.88 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -122.5 150.77 58.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 0.0 110.875 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -11.7 31.41 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 2.285 . . . . 0.0 112.347 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -86.57 87.63 7.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -118.68 156.19 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -88.53 149.13 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -112.86 34.62 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.36 -33.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -132.51 -39.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.89 27.18 3.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.551 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.2 tptt -77.54 158.42 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.45 145.45 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -147.47 177.96 8.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m -103.41 -58.77 1.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -89.02 144.51 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.514 ' O ' HG22 ' A' ' 29' ' ' THR . 11.4 t30 -54.94 -51.03 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.481 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 27.4 t -45.39 -46.32 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -33.84 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' HIS . 15.5 tp -82.21 -63.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 25' ' ' ASN . 6.0 t -45.02 -29.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -80.02 -34.76 38.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 28' ' ' LEU . 36.3 t60 -58.28 -42.25 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.15 -17.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -55.07 -52.77 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -59.81 -9.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -100.13 -36.07 9.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.7 p -86.52 83.12 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.78 86.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -53.19 95.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 12.6 tttt -67.87 -59.84 6.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.561 0.696 . . . . 0.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.81 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.6 m -64.01 -56.82 12.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.93 153.68 7.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -165.47 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -100.8 85.02 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 p -170.54 137.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.468 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p 41.43 40.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.871 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 t -123.15 136.54 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.14 155.09 51.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -80.33 -53.21 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -74.07 -59.88 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.2 -130.11 48.56 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -74.51 -63.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.47 151.18 6.67 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -118.32 141.81 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -40.17 146.3 0.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.91 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.26 25.68 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.73 2.286 . . . . 0.0 112.329 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -82.94 87.75 6.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.34 139.16 54.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.1 t -90.43 106.35 18.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.56 -29.39 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 3.5 tp10 -48.83 -56.96 7.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -119.47 -40.37 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.07 34.68 1.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tptp -88.0 133.77 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.47 143.49 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 6.2 m-85 -139.64 166.56 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -88.72 -35.35 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.76 168.84 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' LEU . 9.0 t30 -70.31 -58.64 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.3 t -37.77 -35.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.87 -45.5 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' ASN . 14.0 tp -72.37 -52.9 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 26' ' ' SER . 14.3 t -58.41 -38.51 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' SER . 23.0 t-20 -70.72 -21.57 62.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.5 t60 -76.1 -55.07 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -39.08 -25.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.2 mtt180 -50.36 -48.36 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -60.8 -20.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.9 m-70 -87.28 -39.75 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -91.25 98.55 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -168.15 -63.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' GLY . 3.9 mt-10 37.15 29.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -64.31 -59.88 9.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.567 0.698 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -48.0 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -108.47 94.85 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.62 70.78 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -33.12 16.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.2 p -108.51 168.61 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.2 t -130.47 133.79 46.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.551 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -133.52 42.09 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -65.56 -58.95 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.26 45.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -119.33 84.54 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 m -101.7 155.53 18.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.3 173.24 37.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m 55.63 41.77 30.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.92 133.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -140.32 113.25 8.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 5.8 pttp -116.65 63.38 2.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -0.08 6.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.817 ' HB3' HD22 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -73.72 110.41 7.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -139.74 109.04 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.0 t -51.04 144.44 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -101.21 -24.16 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 tm-20 -56.98 -44.67 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.91 -44.11 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.75 41.74 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -95.2 154.71 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -125.44 137.04 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -133.85 154.62 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.3 m -82.53 -50.45 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.527 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 3.1 mp0 -91.25 151.87 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.65 -46.2 80.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -49.65 -33.09 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.527 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -68.23 -35.54 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.9 tp -75.88 -66.89 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -47.99 -26.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -84.66 -32.42 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.2 t60 -62.75 -55.63 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -37.58 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 52.0 mtp85 -47.39 -53.73 13.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.3 pt -55.1 -22.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.0 m-70 -89.6 -38.0 14.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.91 109.26 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -127.03 99.42 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' GLY . 5.4 pt-20 34.46 41.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 43.3 tttp -133.13 56.35 21.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.7 107.43 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.742 2.295 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.5 m -61.31 123.68 18.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.97 -94.8 0.15 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 177.47 5.53 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -57.12 148.57 21.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.2 p -143.42 164.1 31.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 53.52 41.95 32.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -129.42 155.14 46.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.41 -177.65 35.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -148.17 176.53 10.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -161.06 148.09 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.62 89.85 0.98 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.4 m -91.65 166.61 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.63 -142.98 15.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -139.9 131.97 27.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -125.24 74.63 67.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.53 0.681 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -11.06 30.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -87.38 85.88 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -127.55 159.4 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.84 158.27 15.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.48 -33.19 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -56.69 -57.12 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -107.59 -45.83 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.78 32.03 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -81.58 164.15 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG12 ' N ' ' A' ' 22' ' ' PHE . 75.5 t -121.59 161.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' N ' HG12 ' A' ' 21' ' ' VAL . 4.2 m-85 -156.72 157.17 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 t -83.84 -42.64 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -113.2 161.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.512 ' O ' HG22 ' A' ' 29' ' ' THR . 22.2 p-10 -62.05 -55.38 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 19.3 m -37.97 -49.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -40.45 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASN . 31.2 tp -76.36 -64.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 25' ' ' ASN . 9.2 t -47.62 -43.86 26.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.445 ' N ' HG23 ' A' ' 29' ' ' THR . 15.1 t-20 -66.18 -45.05 82.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' HG12 ' A' ' 34' ' ' ILE . 8.9 t60 -46.37 -48.03 18.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -42.8 -29.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -44.35 -54.68 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.8 pt -56.81 -23.98 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.2 m-70 -86.69 -37.59 17.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.9 p -82.55 106.61 14.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.56 39.66 1.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 7.0 tp10 -158.34 153.78 25.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.839 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 43.6 tttt 50.25 54.17 15.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.692 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.74 146.65 60.98 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t 70.28 44.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.17 -159.16 28.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.7 5.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -50.71 144.26 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 p -79.22 89.49 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.464 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 t -140.78 116.32 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 p -80.11 142.8 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.4 -125.72 0.79 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p 41.15 43.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -59.59 178.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.68 111.6 2.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -141.67 111.77 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.88 147.07 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -147.72 115.8 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -72.78 151.23 91.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.59 0.709 . . . . 0.0 110.881 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 1.81 4.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -126.75 118.05 23.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -143.69 127.64 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ASN . 36.2 t -76.49 69.25 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.3 m120 -34.72 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -43.95 -58.03 3.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -107.06 -41.44 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.65 19.55 3.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -77.87 160.88 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -135.14 139.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -138.36 170.94 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.0 m -98.16 -54.56 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 8.6 tp60 -83.13 147.42 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -65.64 -53.58 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -28.63 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 24' ' ' GLN . 30.9 m170 -68.78 -40.21 79.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -67.15 -61.18 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 t -51.71 -29.09 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.9 -51.13 14.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' TRP . 23.6 t60 -45.8 -50.68 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' HIS . 7.5 m95 -37.78 -37.15 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -48.46 -46.94 38.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -53.28 -34.47 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CE1' HD11 ' A' ' 34' ' ' ILE . 29.6 m-70 -72.27 -37.81 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.62 85.49 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.85 93.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -104.1 59.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.935 0.397 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 15.2 mttm -57.11 -60.0 10.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.72 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.4 Cg_endo -69.78 -173.32 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' PRO . 12.1 m -37.15 102.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.34 83.7 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.34 53.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.4 p -151.06 171.81 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -68.19 104.1 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -168.13 112.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -101.2 41.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.56 176.12 4.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -173.03 167.65 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 0.0 110.896 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -107.63 141.19 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.19 147.32 5.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -97.76 -56.15 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.846 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.69 102.76 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -85.59 92.57 8.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.958 0.409 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 47.5 mttt -44.24 138.64 3.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.689 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.21 20.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -94.61 87.85 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HG3' HG22 ' A' ' 21' ' ' VAL . 3.5 ttpm? -120.0 149.59 41.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 16' ' ' ASN . 27.0 t -83.37 162.0 21.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.442 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 15.0 t30 -107.08 -34.84 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 5.4 tp10 -56.85 -43.0 80.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.44 -48.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 10.44 4.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 9.1 ttmt -52.4 162.13 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 14' ' ' LYS . 60.5 t -128.24 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 4.0 m-85 -149.41 165.34 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 m -86.73 -56.14 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -92.93 162.71 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.7 t30 -66.76 -61.16 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.2 t -34.58 -50.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.2 tp -78.31 -59.66 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -48.13 -29.45 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -86.76 -39.91 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.3 t60 -51.53 -35.76 41.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -56.3 -34.93 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.48 -35.54 65.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.1 pp -59.66 -26.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 44.7 m-70 -76.79 -32.03 57.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.2 p -77.49 -53.8 7.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -101.48 -177.61 28.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.518 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' GLY . 14.6 mm-40 36.95 30.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.952 0.406 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.9 OUTLIER -48.03 -58.54 7.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 173.71 10.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.26 . . . . 0.0 112.353 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.3 m -94.98 162.34 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.67 164.99 38.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 150.08 67.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.625 2.216 . . . . 0.0 112.331 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -72.28 166.29 22.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -128.39 164.06 23.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 47.3 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.972 0.415 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -144.99 128.32 16.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.8 t -59.74 120.39 9.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -95.11 36.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.571 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.7 mm-40 -126.57 -31.33 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -131.14 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.33 40.8 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -98.11 172.6 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -140.85 134.35 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.02 163.13 25.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -87.04 -41.54 13.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 6.5 mm100 -107.0 173.92 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.8 t-20 -83.8 -51.42 7.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -48.09 -31.19 5.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.472 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.5 m170 -69.62 -49.8 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 15' ' ' CYS . 22.3 tp -60.68 -59.72 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.482 HG23 ' N ' ' A' ' 30' ' ' ASN . 8.8 t -47.31 -45.53 24.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.482 ' N ' HG23 ' A' ' 29' ' ' THR . 1.4 t30 -60.21 -54.96 39.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 26.9 t60 -42.3 -55.92 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 17' ' ' GLU . 8.5 m95 -34.39 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 33.3 mtp85 -45.27 -49.89 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 35' ' ' HIS . 2.2 pp -56.19 -31.76 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CE1' HD11 ' A' ' 34' ' ' ILE . 55.4 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.923 0.392 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -144.82 117.66 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.97 133.64 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -90.76 -27.46 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 35' ' ' HIS . 3.7 tp10 -52.52 -58.48 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.53 -46.44 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.51 42.64 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 tptm -92.33 158.29 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.3 137.97 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 2.5 m-85 -139.67 157.81 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.4 HG23 ' HG2' ' A' ' 24' ' ' GLN . 8.7 t -87.99 -40.04 14.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' HG2' HG23 ' A' ' 23' ' ' THR . 24.5 mm-40 -113.36 150.51 32.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' O ' HG22 ' A' ' 29' ' ' THR . 0.5 OUTLIER -59.7 -48.62 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -42.82 -37.11 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -70.66 -40.09 73.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.89 -65.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 25' ' ' ASN . 7.0 t -40.48 -38.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.5 m120 -70.24 -49.04 54.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 36.3 t60 -44.93 -59.85 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.8 m95 -34.51 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.9 mmp_? -40.62 -52.38 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.6 pp -57.21 -33.69 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.513 ' N ' HD12 ' A' ' 34' ' ' ILE . 47.5 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.958 0.408 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -144.88 114.83 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -52.85 152.57 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -103.89 -32.98 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 72.2 mm-40 -54.27 -58.07 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.05 -45.36 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 34.0 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -83.45 171.45 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -132.57 135.72 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -133.18 149.65 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 p -76.04 -50.14 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -102.08 145.65 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.641 ' O ' HG22 ' A' ' 29' ' ' THR . 0.5 OUTLIER -57.59 -46.09 84.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 30.1 m -47.71 -40.59 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -64.24 -33.09 75.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.3 tp -82.99 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 25' ' ' ASN . 2.8 t -39.88 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 28' ' ' LEU . 18.2 t-20 -86.37 -47.05 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' TRP . 12.7 t60 -45.51 -57.13 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.0 m95 -36.2 -34.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 3.2 mmp_? -45.04 -48.23 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.469 HD12 ' C ' ' A' ' 34' ' ' ILE . 2.0 pp -57.81 -33.97 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.5 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -141.5 143.02 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.7 t -85.07 115.33 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -84.17 24.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.72 -38.77 5.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -131.52 -41.96 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 53.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 156.32 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.0 132.74 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -127.33 170.38 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -98.11 -30.3 12.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -113.22 158.22 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.708 ' O ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -67.61 -45.43 75.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 14.6 t -52.36 -43.52 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -58.07 -39.97 79.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.16 -65.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 25' ' ' ASN . 4.8 t -48.36 -34.9 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 26' ' ' SER . 27.7 t-20 -75.83 -45.24 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' TRP . 41.3 t60 -44.37 -55.71 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.2 m95 -34.39 -38.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -47.04 -49.94 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.476 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.9 pp -47.84 -35.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.43 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.0 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 89.7 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.932 0.396 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.13 138.7 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.8 t -80.83 140.31 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -99.97 -26.73 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -55.43 -41.96 73.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.62 -47.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.74 1.06 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -77.47 161.29 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.319 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -133.12 145.76 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -145.17 158.03 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.0 p -78.7 -54.94 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.578 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 16.8 mt-30 -89.0 173.79 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -83.47 -45.43 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 p -55.41 -27.88 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 11.9 m170 -67.08 -40.97 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.0 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 m -43.46 -44.99 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.93 -51.9 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' TRP . 42.2 t60 -41.18 -55.77 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.6 m95 -34.43 -36.36 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.0 mtp85 -43.85 -49.63 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.9 pp -57.68 -35.29 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 11.6 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 98.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.948 0.404 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -138.98 142.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' ASN . 33.7 t -98.22 76.25 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.1 t-20 -36.52 -36.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 6.3 tm-20 -42.8 -64.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -107.03 -40.03 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.18 34.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.85 155.61 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.7 t -130.68 136.38 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.5 173.65 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.619 HG23 ' HG3' ' A' ' 24' ' ' GLN . 9.3 t -101.24 -30.18 11.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 23' ' ' THR . 51.3 mt-30 -116.23 141.75 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.513 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 10.4 t-20 -54.58 -56.36 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.44 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 4.2 t -39.54 -42.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 9.6 m170 -59.67 -45.23 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.75 -67.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 25' ' ' ASN . 3.2 t -41.77 -27.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 30' ' ' ASN . 3.2 t30 -83.14 -51.46 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' HD11 ' A' ' 34' ' ' ILE . 64.3 t60 -44.78 -52.92 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 9.0 m95 -36.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.3 mtp180 -42.97 -57.65 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.54 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -51.74 -26.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CE1' ' OE1' ' A' ' 17' ' ' GLU . 53.4 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.943 0.401 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -144.93 129.69 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.1 t -81.79 88.55 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -50.21 -34.42 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 3.0 tp10 -44.04 -61.7 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.16 -41.17 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 116.44 49.44 0.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.58 159.66 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -132.6 136.19 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 24.5 m-85 -131.56 166.38 21.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 24' ' ' GLN . 9.7 t -90.57 -37.01 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 76.9 mt-30 -102.93 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -85.06 -46.8 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -53.25 -38.61 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.1 m170 -56.18 -44.4 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.45 -47.64 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -57.86 -39.72 78.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -70.13 -47.09 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.9 t60 -46.32 -54.49 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.1 m95 -37.76 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 74.1 mtt180 -47.56 -55.38 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -53.14 -23.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.465 ' CD2' ' HG2' ' A' ' 17' ' ' GLU . 39.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.673 ' HB3' HD22 ' A' ' 28' ' ' LEU . 39.9 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.925 0.393 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD2' HG22 ' A' ' 21' ' ' VAL . 43.2 tttm -142.34 127.9 19.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -67.16 162.12 23.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -116.6 -35.6 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' OE1' ' CZ3' ' A' ' 32' ' ' TRP . 2.9 mp0 -51.08 -41.51 60.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -119.56 -42.11 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.36 19.08 7.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 32.1 tttp -69.47 152.68 44.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.432 HG22 ' HD2' ' A' ' 14' ' ' LYS . 60.3 t -118.52 142.3 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 8.8 m-85 -133.85 173.26 11.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.1 m -107.25 -49.78 3.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -97.54 146.73 24.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -61.83 -38.09 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -62.06 -8.91 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -97.89 -30.85 12.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 13' ' ' TYR . 54.1 tp -76.14 -61.56 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 25' ' ' ASN . 8.6 t -55.44 -29.18 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 30' ' ' ASN . 21.2 t-20 -74.92 -39.39 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 34' ' ' ILE . 41.3 t60 -58.69 -52.15 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' ' OE1' ' A' ' 17' ' ' GLU . 13.4 m95 -41.65 -24.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.1 mtp85 -50.99 -44.86 60.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.487 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -67.77 -13.72 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.966 0.412 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.708 ' HG3' HG22 ' A' ' 21' ' ' VAL . 13.4 ttpt -144.78 124.18 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.77 115.99 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -86.09 34.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -128.43 -34.21 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.74 -38.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.63 29.0 2.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -88.41 156.44 19.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.708 HG22 ' HG3' ' A' ' 14' ' ' LYS . 47.7 t -132.33 143.7 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -135.71 169.57 17.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.1 p -79.87 -56.16 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -106.67 167.02 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 18.6 t30 -70.33 -52.56 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -43.3 -23.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 7.9 m170 -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.4 tp -66.34 -59.17 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -50.75 -33.54 23.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.76 -38.38 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 46.6 t60 -64.1 -57.16 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -35.49 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 47.3 mtp180 -47.01 -48.89 21.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 34' ' ' ILE . 2.2 pp -57.62 -31.09 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' HD12 ' A' ' 34' ' ' ILE . 36.0 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 48.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -140.99 121.03 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.0 t -54.1 153.55 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -108.48 -24.96 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.46 -45.4 91.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -117.33 -40.09 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.14 15.84 10.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -71.82 137.26 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -107.33 147.49 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -133.5 177.03 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.8 m -93.13 -61.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -97.45 150.9 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.4 p-10 -62.6 -37.09 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -57.38 -14.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -91.06 -36.44 14.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . 8.8 tp -78.19 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 25' ' ' ASN . 12.8 t -43.2 -25.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -93.05 -28.92 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.8 t60 -59.75 -45.63 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -45.5 -21.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 55.9 mtt-85 -53.54 -51.71 62.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 31' ' ' HIS . 5.9 pt -60.14 -13.92 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.943 0.401 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -144.91 120.39 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -61.75 160.01 12.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -110.29 -40.63 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 32' ' ' TRP . 12.6 mp0 -47.65 -55.77 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.85 -43.84 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.05 32.75 2.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -81.37 174.33 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.2 t -138.57 141.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -138.07 146.58 43.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.1 p -73.76 -42.53 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.26 148.31 26.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.563 ' O ' HG22 ' A' ' 29' ' ' THR . 8.1 p-10 -61.52 -49.28 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 5.5 t -43.85 -39.36 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -64.21 -43.7 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.64 -60.16 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 25' ' ' ASN . 4.5 t -49.86 -29.81 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 31.6 t30 -78.26 -48.76 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.6 t60 -48.86 -57.78 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 17' ' ' GLU . 11.1 m95 -35.88 -34.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 25.9 mmt180 -42.27 -53.97 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.2 pp -55.29 -36.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 24.1 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 92.3 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -131.77 134.33 45.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 111.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -84.62 31.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.94 -38.57 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.77 -42.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.99 39.48 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -97.98 154.25 17.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.09 144.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -139.91 175.92 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 m -94.89 -59.7 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -103.12 140.98 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.3 t-20 -41.37 -53.29 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -38.48 -47.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -58.04 -44.71 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' ASN . 28.6 tp -69.19 -67.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 25' ' ' ASN . 6.3 t -42.11 -30.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -74.49 -44.8 49.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.678 ' CE1' HD11 ' A' ' 34' ' ' ILE . 63.3 t60 -49.72 -52.43 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' HIS . 12.6 m95 -37.02 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 33' ' ' ARG . 20.5 mtm105 -43.21 -49.27 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.678 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.0 pt -63.83 -26.81 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.482 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.3 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 66.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.936 0.398 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -143.47 132.5 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.12 151.99 38.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -107.79 -33.19 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -52.48 -49.67 64.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -120.65 -44.96 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.47 83.37 1.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -140.88 147.51 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -109.87 143.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -130.62 157.94 41.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.3 p -71.58 -46.5 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -110.73 170.49 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.522 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 12.5 t30 -75.6 -43.91 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -51.53 -46.74 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -49.35 -45.03 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -67.16 -58.18 5.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -43.44 -44.15 5.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.442 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 48.0 m-20 -67.42 -35.65 79.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.4 t60 -61.86 -62.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -36.03 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 94.7 mtt180 -46.19 -53.35 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.9 pt -53.47 -24.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 36.3 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.968 0.414 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.68 131.42 22.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 t -70.45 131.2 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -92.61 -16.19 25.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.5 tm-20 -63.5 -56.52 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.43 -35.86 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.25 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -64.46 -174.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -157.29 137.97 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -139.93 175.49 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -99.56 -48.32 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -103.41 151.96 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -59.03 -51.76 68.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -40.37 -40.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -61.65 -47.83 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' HIS . 57.2 tp -66.15 -68.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -41.27 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LEU . 67.9 m-20 -89.04 -36.92 15.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 45.6 t60 -56.23 -41.02 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -47.98 -20.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -54.06 -59.04 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.439 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.2 pt -52.37 -21.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 6.9 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.944 0.402 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -118.68 156.19 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -88.53 149.13 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -112.86 34.62 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.36 -33.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -132.51 -39.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.89 27.18 3.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.551 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.2 tptt -77.54 158.42 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.45 145.45 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -147.47 177.96 8.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m -103.41 -58.77 1.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -89.02 144.51 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.514 ' O ' HG22 ' A' ' 29' ' ' THR . 11.4 t30 -54.94 -51.03 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.481 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 27.4 t -45.39 -46.32 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 10.0 m170 -59.7 -33.84 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' HIS . 15.5 tp -82.21 -63.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 25' ' ' ASN . 6.0 t -45.02 -29.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -80.02 -34.76 38.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 28' ' ' LEU . 36.3 t60 -58.28 -42.25 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.15 -17.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -55.07 -52.77 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -59.81 -9.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.34 139.16 54.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.1 t -90.43 106.35 18.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.56 -29.39 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 3.5 tp10 -48.83 -56.96 7.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -119.47 -40.37 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.07 34.68 1.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tptp -88.0 133.77 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.47 143.49 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 6.2 m-85 -139.64 166.56 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -88.72 -35.35 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.76 168.84 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' LEU . 6.9 t-20 -70.31 -58.64 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.3 t -37.77 -35.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -70.87 -45.5 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' ASN . 14.0 tp -72.37 -52.9 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 26' ' ' SER . 14.3 t -58.41 -38.51 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' SER . 23.0 t-20 -70.72 -21.57 62.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.5 t60 -76.1 -55.07 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -39.08 -25.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.2 mtt180 -50.36 -48.36 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -60.8 -20.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.817 ' HB3' HD22 ' A' ' 28' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -139.74 109.04 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.0 t -51.04 144.44 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -101.21 -24.16 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 tm-20 -56.98 -44.67 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.91 -44.11 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.75 41.74 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -95.2 154.71 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -125.44 137.04 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -133.85 154.62 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.3 m -82.53 -50.45 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.53 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 27.7 mp0 -91.25 151.87 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.65 -46.2 80.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -49.65 -33.09 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.1 m170 -68.23 -35.54 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.9 tp -75.88 -66.89 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -47.99 -26.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -84.66 -32.42 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.2 t60 -62.75 -55.63 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -37.58 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 52.0 mtp85 -47.39 -53.73 13.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.3 pt -55.1 -22.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.0 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.967 0.413 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -127.55 159.4 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.84 158.27 15.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.48 -33.19 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -56.69 -57.12 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -107.59 -45.83 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.78 32.03 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -81.58 164.15 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG12 ' N ' ' A' ' 22' ' ' PHE . 75.5 t -121.59 161.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' N ' HG12 ' A' ' 21' ' ' VAL . 4.2 m-85 -156.72 157.17 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 t -83.84 -42.64 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -113.2 161.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.512 ' O ' HG22 ' A' ' 29' ' ' THR . 22.2 p-10 -62.05 -55.38 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 19.3 m -37.97 -49.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -58.62 -40.45 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASN . 31.2 tp -76.36 -64.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 25' ' ' ASN . 9.2 t -47.62 -43.86 26.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.445 ' N ' HG23 ' A' ' 29' ' ' THR . 15.1 t-20 -66.18 -45.05 82.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' HG12 ' A' ' 34' ' ' ILE . 8.9 t60 -46.37 -48.03 18.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -42.8 -29.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -44.35 -54.68 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.8 pt -56.81 -23.98 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.2 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.935 0.398 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -143.69 127.64 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ASN . 36.2 t -76.49 69.25 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.3 m120 -34.72 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -43.95 -58.03 3.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -107.06 -41.44 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.65 19.55 3.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -77.87 160.88 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -135.14 139.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -138.36 170.94 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.0 m -98.16 -54.56 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 8.6 tp60 -83.13 147.42 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -65.64 -53.58 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -28.63 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 24' ' ' GLN . 30.9 m170 -68.78 -40.21 79.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -67.15 -61.18 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 t -51.71 -29.09 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.9 -51.13 14.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' TRP . 23.6 t60 -45.8 -50.68 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' HIS . 7.5 m95 -37.78 -37.15 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -48.46 -46.94 38.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -53.28 -34.47 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CE1' HD11 ' A' ' 34' ' ' ILE . 29.6 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.956 0.408 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HG3' HG22 ' A' ' 21' ' ' VAL . 3.5 ttpm? -120.0 149.59 41.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 16' ' ' ASN . 27.0 t -83.37 162.0 21.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.442 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 15.0 t30 -107.08 -34.84 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 5.4 tp10 -56.85 -43.0 80.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.44 -48.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 10.44 4.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 9.1 ttmt -52.4 162.13 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 14' ' ' LYS . 60.5 t -128.24 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 4.0 m-85 -149.41 165.34 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 m -86.73 -56.14 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -92.93 162.71 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.7 t30 -66.76 -61.16 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.2 t -34.58 -50.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.2 tp -78.31 -59.66 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -48.13 -29.45 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 93.5 m-20 -86.76 -39.91 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.3 t60 -51.53 -35.76 41.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -56.3 -34.93 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.48 -35.54 65.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.1 pp -59.66 -26.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 44.7 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -131.64 129.41 40.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -98.22 114.8 27.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.49 65.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -121.9 130.74 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -96.15 175.88 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.83 -82.62 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 m -62.21 -55.74 25.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.57 -64.64 3.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.559 ' OE2' HG21 ' A' ' 21' ' ' VAL . 13.2 mm-40 -54.24 162.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -78.3 158.98 76.08 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.555 0.693 . . . . 0.0 110.924 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.73 -14.77 36.65 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.3 m-85 -111.17 119.85 40.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -144.99 128.32 16.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.8 t -59.74 120.39 9.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -95.11 36.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.571 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 5.7 mm-40 -126.57 -31.33 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -131.14 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.33 40.8 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -98.11 172.6 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.559 HG21 ' OE2' ' A' ' 10' ' ' GLU . 96.2 t -140.85 134.35 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -128.02 163.13 25.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -87.04 -41.54 13.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 6.5 mm100 -107.0 173.92 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.8 t-20 -83.8 -51.42 7.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -48.09 -31.19 5.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.472 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.5 m170 -69.62 -49.8 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 15' ' ' CYS . 22.3 tp -60.68 -59.72 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.482 HG23 ' N ' ' A' ' 30' ' ' ASN . 8.8 t -47.31 -45.53 24.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.482 ' N ' HG23 ' A' ' 29' ' ' THR . 1.4 t30 -60.21 -54.96 39.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' ARG . 26.9 t60 -42.3 -55.92 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 17' ' ' GLU . 8.5 m95 -34.39 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' HIS . 33.3 mtp85 -45.27 -49.89 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 35' ' ' HIS . 2.2 pp -56.19 -31.76 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CE1' HD11 ' A' ' 34' ' ' ILE . 55.4 m-70 -75.97 -41.46 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.4 p -79.43 81.96 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.78 -155.26 25.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.438 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 73.36 49.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.926 0.393 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 23.8 mtmm 58.72 54.81 5.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.74 -7.05 20.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 t -96.64 91.78 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.95 -167.55 33.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.69 10.35 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.742 2.295 . . . . 0.0 112.369 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 t -54.08 137.39 40.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 81.5 p -93.73 -47.32 6.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.462 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -128.38 92.56 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -106.22 167.21 9.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.94 45.73 2.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -163.52 127.25 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -110.2 137.41 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.19 -87.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 p -47.59 156.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.14 72.58 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -96.91 139.38 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.676 ' HD2' HG12 ' A' ' 21' ' ' VAL . 11.4 mttp -86.27 152.37 55.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.82 0.13 6.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.491 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 75.4 m-85 -126.32 109.58 12.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -144.82 117.66 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.97 133.64 54.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -90.76 -27.46 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 35' ' ' HIS . 3.7 tp10 -52.52 -58.48 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.53 -46.44 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.51 42.64 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 tptm -92.33 158.29 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.676 HG12 ' HD2' ' A' ' 11' ' ' LYS . 85.9 t -126.3 137.97 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 2.5 m-85 -139.67 157.81 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.435 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 8.7 t -87.99 -40.04 14.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' HG2' HG23 ' A' ' 23' ' ' THR . 24.5 mm-40 -113.36 150.51 32.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' O ' HG22 ' A' ' 29' ' ' THR . 0.5 OUTLIER -59.7 -48.62 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -42.82 -37.11 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -70.66 -40.09 73.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -71.89 -65.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 25' ' ' ASN . 7.0 t -40.48 -38.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.5 m120 -70.24 -49.04 54.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 36.3 t60 -44.93 -59.85 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.8 m95 -34.51 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.9 mmp_? -40.62 -52.38 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.6 pp -57.21 -33.69 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.513 ' N ' HD12 ' A' ' 34' ' ' ILE . 47.5 m-70 -73.29 -39.69 65.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.2 p -79.78 82.79 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.67 -48.47 0.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -79.47 45.19 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.945 0.402 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -134.76 56.97 19.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.703 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.23 3.69 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.703 2.268 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 p -89.63 153.21 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.14 171.03 29.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.2 3.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -143.81 160.69 40.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.8 t -157.97 137.56 12.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.457 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -116.29 141.65 47.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -132.82 107.74 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.0 -44.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -91.71 108.48 19.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -141.37 123.65 15.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.69 118.85 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 t -114.53 44.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 0.0 110.839 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.02 70.39 1.08 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -140.35 115.12 9.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 0.0 110.941 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -75.1 161.14 78.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 110.927 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.8 -8.36 23.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.463 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 83.0 m-85 -119.69 117.07 27.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -144.88 114.83 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -52.85 152.57 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -103.89 -32.98 9.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 72.2 mm-40 -54.27 -58.07 8.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.05 -45.36 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.89 34.0 1.76 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -83.45 171.45 13.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 91.1 t -132.57 135.72 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -133.18 149.65 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 p -76.04 -50.14 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -102.08 145.65 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.641 ' O ' HG22 ' A' ' 29' ' ' THR . 0.5 OUTLIER -57.59 -46.09 84.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 30.1 m -47.71 -40.59 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -64.24 -33.09 75.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' ASN . 10.3 tp -82.99 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 25' ' ' ASN . 2.8 t -39.88 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 28' ' ' LEU . 18.2 t-20 -86.37 -47.05 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 32' ' ' TRP . 12.7 t60 -45.51 -57.13 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.0 m95 -36.2 -34.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 3.2 mmp_? -45.04 -48.23 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.469 HD12 ' C ' ' A' ' 34' ' ' ILE . 2.0 pp -57.81 -33.97 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.5 m-70 -71.92 -35.2 69.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 p -83.21 45.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.2 -27.99 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' LYS . 8.3 tp10 -86.72 43.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER 34.51 54.72 1.73 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.876 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.75 1.92 3.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -94.33 151.74 19.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.7 -90.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 159.43 53.42 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t 59.0 42.38 19.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.8 p -53.61 -47.96 69.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.5 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -146.9 146.1 30.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.364 . . . . 0.0 110.897 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -117.26 131.23 56.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.79 -50.5 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -62.22 139.97 58.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -172.4 155.34 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.76 -75.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.2 p -64.96 108.26 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.85 144.24 16.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -68.19 161.12 27.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -109.99 161.45 24.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.553 0.692 . . . . 0.0 110.904 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.73 -10.19 27.97 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 86.3 m-85 -112.52 116.06 29.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -141.5 143.02 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.7 t -85.07 115.33 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -84.17 24.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.72 -38.77 5.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 p -131.52 -41.96 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.04 53.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 156.32 19.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 85.4 t -131.0 132.74 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -127.33 170.38 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -98.11 -30.3 12.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -113.22 158.22 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.708 ' O ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -67.61 -45.43 75.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 14.6 t -52.36 -43.52 64.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -58.07 -39.97 79.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.16 -65.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 25' ' ' ASN . 4.8 t -48.36 -34.9 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 26' ' ' SER . 27.7 t-20 -75.83 -45.24 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' TRP . 41.3 t60 -44.37 -55.71 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.2 m95 -34.39 -38.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -47.04 -49.94 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.476 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.9 pp -47.84 -35.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.43 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.0 m-70 -72.97 -40.05 65.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.9 p -88.54 92.16 9.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.15 173.26 43.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -90.79 42.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -135.0 57.28 20.27 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 125.19 11.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -98.09 139.37 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.76 -95.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.14 6.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -48.59 118.48 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -92.07 105.75 17.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 m -45.97 121.6 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -127.44 114.42 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.51 95.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -92.67 148.38 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.827 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -143.43 146.77 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.73 99.15 0.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -67.06 -35.03 78.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.27 -170.5 43.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -89.88 121.64 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -72.43 155.56 91.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.19 3.75 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 89.7 m-85 -134.92 94.97 3.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.13 138.7 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.8 t -80.83 140.31 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -99.97 -26.73 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mm-40 -55.43 -41.96 73.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.62 -47.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.74 1.06 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -77.47 161.29 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.319 . . . . 0.0 110.906 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -133.12 145.76 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -145.17 158.03 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.0 p -78.7 -54.94 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.578 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 16.8 mt-30 -89.0 173.79 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -83.47 -45.43 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 p -55.41 -27.88 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 11.9 m170 -67.08 -40.97 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.0 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 m -43.46 -44.99 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.93 -51.9 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' TRP . 42.2 t60 -41.18 -55.77 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.6 m95 -34.43 -36.36 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.0 mtp85 -43.85 -49.63 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.9 pp -57.68 -35.29 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 11.6 m-70 -69.86 -38.15 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 36' ' ' THR . 8.8 t -141.75 115.46 9.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.71 174.38 30.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -102.18 120.99 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 22.2 ttpt 50.93 54.3 15.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.77 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.334 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 t -134.78 89.73 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 170.39 86.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 86.32 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -87.62 174.78 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.0 t -115.97 149.21 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.464 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -86.7 136.21 33.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -81.9 -44.6 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.85 -108.58 3.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -152.25 165.0 36.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.793 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -95.39 42.23 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.6 79.08 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -46.93 134.29 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.72 89.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -89.9 117.83 29.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -115.19 161.51 29.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.82 3.18 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 98.8 m-85 -124.28 118.84 27.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -138.98 142.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' ASN . 33.7 t -98.22 76.25 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.1 t-20 -36.52 -36.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 6.3 tm-20 -42.8 -64.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -107.03 -40.03 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.18 34.01 1.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.85 155.61 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.33 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 96.7 t -130.68 136.38 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.5 173.65 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.619 HG23 ' HG3' ' A' ' 24' ' ' GLN . 9.3 t -101.24 -30.18 11.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 23' ' ' THR . 51.3 mt-30 -116.23 141.75 47.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.513 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 10.4 t-20 -54.58 -56.36 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.44 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 4.2 t -39.54 -42.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 9.6 m170 -59.67 -45.23 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.75 -67.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 25' ' ' ASN . 3.2 t -41.77 -27.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 30' ' ' ASN . 3.2 t30 -83.14 -51.46 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' HD11 ' A' ' 34' ' ' ILE . 64.3 t60 -44.78 -52.92 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' HIS . 9.0 m95 -36.1 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 22.3 mtp180 -42.97 -57.65 2.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.54 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.8 pt -51.74 -26.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CE1' ' OE1' ' A' ' 17' ' ' GLU . 53.4 m-70 -85.87 -36.95 19.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.1 p -72.54 112.03 8.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.48 175.94 47.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -97.4 -1.61 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 18.2 mtmm -133.75 56.01 18.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.696 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.2 Cg_endo -69.72 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' PRO . 33.6 m 34.41 42.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.04 -158.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 178.44 4.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.7 m -53.58 103.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.7 p -105.7 -44.85 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.495 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -50.18 -60.91 2.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 0.0 110.824 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -82.01 142.61 32.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.67 49.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -131.42 42.14 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -120.08 175.64 5.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.82 91.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.1 m -63.54 139.18 58.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.833 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.37 -155.86 14.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 55.8 36.62 27.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' HG11 ' A' ' 21' ' ' VAL . 4.3 mptp? -41.79 157.78 0.2 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.551 0.691 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.1 Cg_endo -69.76 2.82 3.19 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.404 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 64.9 m-85 -131.97 116.86 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -144.93 129.69 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.1 t -81.79 88.55 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -50.21 -34.42 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 3.0 tp10 -44.04 -61.7 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.16 -41.17 4.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 116.44 49.44 0.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.58 159.66 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.426 HG11 ' HD3' ' A' ' 11' ' ' LYS . 53.2 t -132.6 136.19 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 24.5 m-85 -131.56 166.38 21.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 24' ' ' GLN . 9.7 t -90.57 -37.01 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 76.9 mt-30 -102.93 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -85.06 -46.8 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -53.25 -38.61 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.1 m170 -56.18 -44.4 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.45 -47.64 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -57.86 -39.72 78.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -70.13 -47.09 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.9 t60 -46.32 -54.49 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.1 m95 -37.76 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 74.1 mtt180 -47.56 -55.38 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -53.14 -23.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.465 ' CD2' ' HG2' ' A' ' 17' ' ' GLU . 39.2 m-70 -89.2 -38.38 14.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.5 p -87.45 87.64 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.73 -154.88 6.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 39' ' ' LYS . 24.7 mp0 -107.51 136.19 47.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 38' ' ' GLU . 16.6 ptmt 34.44 54.66 1.69 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.74 1.95 3.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.65 2.233 . . . . 0.0 112.39 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.9 p -73.48 146.61 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.02 -93.73 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 98.17 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -132.96 132.57 42.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 t -155.84 147.32 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.487 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 66.94 42.41 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -93.85 169.8 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.46 127.48 0.97 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -173.26 133.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p -174.98 110.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.22 111.93 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -92.18 118.35 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.933 0.396 . . . . 0.0 110.807 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.36 115.5 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -78.89 148.21 32.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -110.45 81.01 2.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.544 0.688 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.76 2.88 3.14 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.673 ' HB3' HD22 ' A' ' 28' ' ' LEU . 39.9 m-85 -156.35 107.18 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD2' HG22 ' A' ' 21' ' ' VAL . 43.2 tttm -142.34 127.9 19.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -67.16 162.12 23.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -116.6 -35.6 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' OE1' ' CZ3' ' A' ' 32' ' ' TRP . 2.9 mp0 -51.08 -41.51 60.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -119.56 -42.11 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.36 19.08 7.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 32.1 tttp -69.47 152.68 44.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.432 HG22 ' HD2' ' A' ' 14' ' ' LYS . 60.3 t -118.52 142.3 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 8.8 m-85 -133.85 173.26 11.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.1 m -107.25 -49.78 3.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -97.54 146.73 24.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -61.83 -38.09 86.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -62.06 -8.91 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -97.89 -30.85 12.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 13' ' ' TYR . 54.1 tp -76.14 -61.56 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 25' ' ' ASN . 8.6 t -55.44 -29.18 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 30' ' ' ASN . 21.2 t-20 -74.92 -39.39 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 34' ' ' ILE . 41.3 t60 -58.69 -52.15 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' ' OE1' ' A' ' 17' ' ' GLU . 13.4 m95 -41.65 -24.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' HIS . 62.1 mtp85 -50.99 -44.86 60.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.487 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -67.77 -13.72 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -94.98 -27.21 15.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 36' ' ' THR . 10.2 t -149.98 117.07 5.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.71 48.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.458 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.68 94.47 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 6.1 ttpt -39.5 -59.79 1.49 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.78 111.79 2.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.295 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.1 m -130.23 43.93 3.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.43 -171.93 36.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.1 t -35.0 121.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 t -74.92 131.23 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -148.84 155.49 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -103.09 123.19 46.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.41 178.91 17.96 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -123.3 152.93 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.351 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -58.56 -45.99 87.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.02 -78.64 0.87 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -132.35 44.05 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.58 80.04 0.35 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -164.13 152.71 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -123.66 143.92 43.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.687 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.76 1.74 4.16 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.722 2.281 . . . . 0.0 112.332 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 50.8 m-85 -120.12 110.51 16.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.708 ' HG3' HG22 ' A' ' 21' ' ' VAL . 13.4 ttpt -144.78 124.18 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.77 115.99 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -86.09 34.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -128.43 -34.21 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -128.74 -38.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.63 29.0 2.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -88.41 156.44 19.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.708 HG22 ' HG3' ' A' ' 14' ' ' LYS . 47.7 t -132.33 143.7 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -135.71 169.57 17.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.1 p -79.87 -56.16 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -106.67 167.02 10.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 18.6 t30 -70.33 -52.56 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -43.3 -23.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 7.9 m170 -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.4 tp -66.34 -59.17 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -50.75 -33.54 23.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.76 -38.38 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 46.6 t60 -64.1 -57.16 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -35.49 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 47.3 mtp180 -47.01 -48.89 21.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 34' ' ' ILE . 2.2 pp -57.62 -31.09 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' HD12 ' A' ' 34' ' ' ILE . 36.0 m-70 -75.67 -35.8 60.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -91.47 112.8 24.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.48 72.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -89.23 65.57 7.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 8.1 tttm -40.02 -60.04 1.57 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.8 163.3 38.83 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -85.79 133.36 33.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.03 -158.26 24.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -0.66 7.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.7 p -150.57 118.62 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 m -67.01 -50.95 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.473 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p 42.53 42.17 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -136.7 134.51 37.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.25 114.37 3.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -90.32 83.07 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -169.9 141.65 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.18 -135.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 p -81.54 89.69 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.7 -48.17 17.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.91 131.61 34.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.848 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.29 149.88 18.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.76 2.23 3.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 48.6 m-85 -130.49 105.64 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -140.99 121.03 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.0 t -54.1 153.55 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -108.48 -24.96 11.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.46 -45.4 91.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -117.33 -40.09 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.14 15.84 10.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -71.82 137.26 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -107.33 147.49 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -133.5 177.03 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.8 m -93.13 -61.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -97.45 150.9 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.4 p-10 -62.6 -37.09 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -57.38 -14.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -91.06 -36.44 14.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' HIS . 8.8 tp -78.19 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 25' ' ' ASN . 12.8 t -43.2 -25.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -93.05 -28.92 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 28' ' ' LEU . 47.8 t60 -59.75 -45.63 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -45.5 -21.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 55.9 mtt-85 -53.54 -51.71 62.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 31' ' ' HIS . 5.9 pt -60.14 -13.92 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -95.25 -38.63 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 p -84.93 134.95 34.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.04 47.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.25 142.53 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -47.54 -59.74 5.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 0.0 110.94 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.79 96.13 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.323 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 p -62.36 -58.06 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.29 145.82 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -177.04 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.5 m -45.98 -64.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.5 t -95.87 146.92 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.457 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -82.11 115.55 21.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.351 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.7 p -111.69 87.75 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.76 163.32 36.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -72.81 -47.18 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t 72.23 42.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.11 174.82 16.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.4 m -78.86 136.0 37.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.51 142.98 4.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -166.84 143.29 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 1.6 tppp? -100.37 135.12 20.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.481 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -7.04 20.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.359 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.1 m-85 -131.06 106.78 8.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -144.91 120.39 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -61.75 160.01 12.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -110.29 -40.63 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 32' ' ' TRP . 12.6 mp0 -47.65 -55.77 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.85 -43.84 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.05 32.75 2.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -81.37 174.33 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' CG1' ' HG2' ' A' ' 11' ' ' LYS . 93.2 t -138.57 141.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -138.07 146.58 43.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.1 p -73.76 -42.53 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.26 148.31 26.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' O ' HG22 ' A' ' 29' ' ' THR . 8.1 p-10 -61.52 -49.28 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 5.5 t -43.85 -39.36 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -64.21 -43.7 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.64 -60.16 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 25' ' ' ASN . 4.5 t -49.86 -29.81 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 31.6 t30 -78.26 -48.76 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.6 t60 -48.86 -57.78 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 17' ' ' GLU . 11.1 m95 -35.88 -34.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 30' ' ' ASN . 25.9 mmt180 -42.27 -53.97 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.2 pp -55.29 -36.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 24.1 m-70 -70.28 -41.18 73.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.1 p -76.28 91.63 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.31 -90.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -80.56 159.18 25.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -134.74 57.2 20.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -174.74 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 p -49.86 159.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.68 -168.87 15.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.75 2.43 3.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 43' ' ' PRO . 52.5 m -34.94 119.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -89.72 85.34 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.471 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -129.33 128.32 42.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -153.24 177.12 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.01 137.99 4.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -164.78 145.11 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 0.0 110.807 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -147.62 160.53 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.61 113.81 1.73 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.7 p -148.26 141.91 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.63 65.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -97.05 146.15 25.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -125.06 158.53 62.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.669 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -0.28 6.68 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 92.3 m-85 -133.27 96.92 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -131.77 134.33 45.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 111.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -84.62 31.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.94 -38.57 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.77 -42.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.99 39.48 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -97.98 154.25 17.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.09 144.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -139.91 175.92 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 m -94.89 -59.7 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -103.12 140.98 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 27.3 t-20 -41.37 -53.29 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -38.48 -47.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -58.04 -44.71 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' ASN . 28.6 tp -69.19 -67.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 25' ' ' ASN . 6.3 t -42.11 -30.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -74.49 -44.8 49.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.678 ' CE1' HD11 ' A' ' 34' ' ' ILE . 63.3 t60 -49.72 -52.43 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' HIS . 12.6 m95 -37.02 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 33' ' ' ARG . 20.5 mtm105 -43.21 -49.27 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.678 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.0 pt -63.83 -26.81 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.482 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.3 m-70 -79.33 -36.72 39.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -77.15 -42.05 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.18 -171.57 6.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -92.73 91.88 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 26.1 tptt -134.28 56.95 20.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.71 102.94 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.9 t -44.83 145.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.46 83.41 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 91.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -84.08 120.13 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -98.16 86.54 3.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.474 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m 52.89 41.99 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -114.83 135.23 54.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.04 -127.44 5.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 m -123.16 43.59 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -63.33 142.72 58.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.76 -103.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.7 p -90.38 43.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 40.39 -130.45 2.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -105.42 159.76 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 2.4 mptt -73.67 161.47 78.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.516 0.674 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.79 3.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.274 . . . . 0.0 112.327 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 66.5 m-85 -135.21 108.28 7.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -143.47 132.5 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -75.12 151.99 38.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -107.79 -33.19 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -52.48 -49.67 64.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -120.65 -44.96 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.47 83.37 1.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -140.88 147.51 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 46.6 t -109.87 143.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -130.62 157.94 41.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.3 p -71.58 -46.5 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -110.73 170.49 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.522 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 12.5 t30 -75.6 -43.91 45.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -51.53 -46.74 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -49.35 -45.03 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.6 tp -67.16 -58.18 5.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -43.44 -44.15 5.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.442 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 48.0 m-20 -67.42 -35.65 79.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 69.4 t60 -61.86 -62.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.4 m95 -36.03 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 94.7 mtt180 -46.19 -53.35 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.9 pt -53.47 -24.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 36.3 m-70 -86.96 -37.3 17.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.5 p -97.26 102.15 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.62 -160.03 25.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' C ' ' A' ' 39' ' ' LYS . 1.1 pm0 -85.59 58.22 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.504 ' O ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER 30.43 54.51 0.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.89 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.74 -41.67 4.09 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 m -143.95 130.19 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.86 177.18 38.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.39 19.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.2 m -112.34 123.57 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.4 p -66.3 156.46 34.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t -164.03 127.13 2.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 m -80.55 93.29 6.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.94 130.17 3.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -129.1 112.96 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -41.67 -55.23 3.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 108.22 0.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 p -57.19 -62.48 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.06 98.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 19.2 mp0 -99.48 79.92 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -92.54 148.6 36.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.559 0.695 . . . . 0.0 110.923 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.68 0.81 5.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.473 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 61.9 m-85 -140.25 116.25 10.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.68 131.42 22.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 t -70.45 131.2 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -92.61 -16.19 25.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.5 tm-20 -63.5 -56.52 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.43 -35.86 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.45 21.25 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -64.46 -174.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -157.29 137.97 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -139.93 175.49 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -99.56 -48.32 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -103.41 151.96 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -59.03 -51.76 68.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -40.37 -40.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -61.65 -47.83 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' HIS . 57.2 tp -66.15 -68.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -41.27 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LEU . 67.9 m-20 -89.04 -36.92 15.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 45.6 t60 -56.23 -41.02 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -47.98 -20.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -54.06 -59.04 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.439 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.2 pt -52.37 -21.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 6.9 m-70 -86.81 -29.95 21.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.0 p -97.8 94.02 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.83 -39.48 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.418 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.65 75.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 28.9 tttt -58.7 -60.04 11.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.73 155.19 66.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -87.57 109.14 19.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.09 -179.49 27.3 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.65 23.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p -89.38 93.61 9.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -85.76 131.77 34.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -136.83 109.51 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -163.83 118.18 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.01 -49.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -50.62 123.78 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -49.68 -51.64 36.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.87 117.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -112.27 42.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.91 60.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -127.64 86.88 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -122.5 150.77 58.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.716 . . . . 0.0 110.875 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -11.7 31.41 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 2.285 . . . . 0.0 112.347 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -86.57 87.63 7.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -118.68 156.19 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -88.53 149.13 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -112.86 34.62 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.36 -33.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -132.51 -39.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.89 27.18 3.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.551 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 17.2 tptt -77.54 158.42 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.45 145.45 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -147.47 177.96 8.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m -103.41 -58.77 1.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -89.02 144.51 26.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.514 ' O ' HG22 ' A' ' 29' ' ' THR . 11.4 t30 -54.94 -51.03 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.481 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 27.4 t -45.39 -46.32 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 10.0 m170 -59.7 -33.84 72.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' HIS . 15.5 tp -82.21 -63.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 25' ' ' ASN . 6.0 t -45.02 -29.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -80.02 -34.76 38.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 28' ' ' LEU . 36.3 t60 -58.28 -42.25 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.15 -17.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -55.07 -52.77 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -59.81 -9.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -100.13 -36.07 9.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.7 p -86.52 83.12 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.78 86.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -53.19 95.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.925 0.393 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 12.6 tttt -67.87 -59.84 6.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.561 0.696 . . . . 0.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.81 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.6 m -64.01 -56.82 12.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.93 153.68 7.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -165.47 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -100.8 85.02 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 p -170.54 137.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.468 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p 41.43 40.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.871 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 t -123.15 136.54 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.14 155.09 51.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -80.33 -53.21 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -74.07 -59.88 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.2 -130.11 48.56 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -74.51 -63.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.47 151.18 6.67 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -118.32 141.81 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' CD ' ' H ' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -40.17 146.3 0.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.91 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.26 25.68 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.73 2.286 . . . . 0.0 112.329 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -82.94 87.75 6.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.34 139.16 54.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 7.1 t -90.43 106.35 18.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.56 -29.39 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 3.5 tp10 -48.83 -56.96 7.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -119.47 -40.37 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.07 34.68 1.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tptp -88.0 133.77 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.47 143.49 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 6.2 m-85 -139.64 166.56 24.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -88.72 -35.35 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.76 168.84 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' LEU . 6.9 t-20 -70.31 -58.64 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.3 t -37.77 -35.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -70.87 -45.5 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' ASN . 14.0 tp -72.37 -52.9 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 26' ' ' SER . 14.3 t -58.41 -38.51 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' SER . 23.0 t-20 -70.72 -21.57 62.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 29.5 t60 -76.1 -55.07 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -39.08 -25.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.2 mtt180 -50.36 -48.36 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -60.8 -20.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.9 m-70 -87.28 -39.75 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -91.25 98.55 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -168.15 -63.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' GLY . 3.9 mt-10 37.15 29.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -64.31 -59.88 9.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.567 0.698 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -48.0 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -108.47 94.85 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.62 70.78 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -33.12 16.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.2 p -108.51 168.61 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.2 t -130.47 133.79 46.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.551 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -133.52 42.09 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -65.56 -58.95 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.26 45.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -119.33 84.54 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 m -101.7 155.53 18.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.3 173.24 37.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m 55.63 41.77 30.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.92 133.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -140.32 113.25 8.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 5.8 pttp -116.65 63.38 2.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -0.08 6.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.817 ' HB3' HD22 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -73.72 110.41 7.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -139.74 109.04 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.0 t -51.04 144.44 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -101.21 -24.16 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 tm-20 -56.98 -44.67 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -122.91 -44.11 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.75 41.74 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -95.2 154.71 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -125.44 137.04 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -133.85 154.62 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.3 m -82.53 -50.45 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.53 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 27.7 mp0 -91.25 151.87 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.65 -46.2 80.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.6 t -49.65 -33.09 14.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 24' ' ' GLN . 10.1 m170 -68.23 -35.54 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.9 tp -75.88 -66.89 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -47.99 -26.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -84.66 -32.42 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.2 t60 -62.75 -55.63 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -37.58 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 52.0 mtp85 -47.39 -53.73 13.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.3 pt -55.1 -22.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.0 m-70 -89.6 -38.0 14.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.91 109.26 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -127.03 99.42 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' GLY . 5.4 pt-20 34.46 41.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 43.3 tttp -133.13 56.35 21.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.7 107.43 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.742 2.295 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.5 m -61.31 123.68 18.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.97 -94.8 0.15 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 177.47 5.53 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -57.12 148.57 21.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.2 p -143.42 164.1 31.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 53.52 41.95 32.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -129.42 155.14 46.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.41 -177.65 35.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -148.17 176.53 10.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -161.06 148.09 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.62 89.85 0.98 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.4 m -91.65 166.61 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.63 -142.98 15.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -139.9 131.97 27.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -125.24 74.63 67.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.53 0.681 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -11.06 30.04 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -87.38 85.88 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -127.55 159.4 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -96.84 158.27 15.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -105.48 -33.19 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -56.69 -57.12 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -107.59 -45.83 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.78 32.03 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -81.58 164.15 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG12 ' N ' ' A' ' 22' ' ' PHE . 75.5 t -121.59 161.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' N ' HG12 ' A' ' 21' ' ' VAL . 4.2 m-85 -156.72 157.17 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 t -83.84 -42.64 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -113.2 161.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.512 ' O ' HG22 ' A' ' 29' ' ' THR . 22.2 p-10 -62.05 -55.38 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 19.3 m -37.97 -49.99 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -58.62 -40.45 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASN . 31.2 tp -76.36 -64.61 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 25' ' ' ASN . 9.2 t -47.62 -43.86 26.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.445 ' N ' HG23 ' A' ' 29' ' ' THR . 15.1 t-20 -66.18 -45.05 82.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' HG12 ' A' ' 34' ' ' ILE . 8.9 t60 -46.37 -48.03 18.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -42.8 -29.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -44.35 -54.68 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.8 pt -56.81 -23.98 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 13.2 m-70 -86.69 -37.59 17.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.9 p -82.55 106.61 14.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.56 39.66 1.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 7.0 tp10 -158.34 153.78 25.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.839 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 43.6 tttt 50.25 54.17 15.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.692 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.74 146.65 60.98 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t 70.28 44.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.17 -159.16 28.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.7 5.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -50.71 144.26 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 p -79.22 89.49 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.464 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 t -140.78 116.32 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 p -80.11 142.8 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.4 -125.72 0.79 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p 41.15 43.5 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -59.59 178.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.68 111.6 2.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -141.67 111.77 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.88 147.07 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -147.72 115.8 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -72.78 151.23 91.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.59 0.709 . . . . 0.0 110.881 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 1.81 4.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -126.75 118.05 23.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -143.69 127.64 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ASN . 36.2 t -76.49 69.25 2.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.3 m120 -34.72 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -43.95 -58.03 3.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -107.06 -41.44 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.65 19.55 3.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -77.87 160.88 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -135.14 139.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 7.0 m-85 -138.36 170.94 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.0 m -98.16 -54.56 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 8.6 tp60 -83.13 147.42 28.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -65.64 -53.58 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -28.63 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 24' ' ' GLN . 30.9 m170 -68.78 -40.21 79.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -67.15 -61.18 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 t -51.71 -29.09 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -74.9 -51.13 14.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' TRP . 23.6 t60 -45.8 -50.68 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' HIS . 7.5 m95 -37.78 -37.15 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -48.46 -46.94 38.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.6 pp -53.28 -34.47 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CE1' HD11 ' A' ' 34' ' ' ILE . 29.6 m-70 -72.27 -37.81 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.62 85.49 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.85 93.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -104.1 59.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.935 0.397 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 15.2 mttm -57.11 -60.0 10.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.72 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.4 Cg_endo -69.78 -173.32 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' PRO . 12.1 m -37.15 102.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.34 83.7 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.34 53.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.4 p -151.06 171.81 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -68.19 104.1 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -168.13 112.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -101.2 41.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.56 176.12 4.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -173.03 167.65 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 0.0 110.896 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -107.63 141.19 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.19 147.32 5.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -97.76 -56.15 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.846 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.69 102.76 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -85.59 92.57 8.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.958 0.409 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 47.5 mttt -44.24 138.64 3.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.689 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.21 20.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -94.61 87.85 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HG3' HG22 ' A' ' 21' ' ' VAL . 3.5 ttpm? -120.0 149.59 41.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 16' ' ' ASN . 27.0 t -83.37 162.0 21.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.442 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 15.0 t30 -107.08 -34.84 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 5.4 tp10 -56.85 -43.0 80.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.44 -48.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 10.44 4.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 9.1 ttmt -52.4 162.13 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 14' ' ' LYS . 60.5 t -128.24 146.8 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 4.0 m-85 -149.41 165.34 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 m -86.73 -56.14 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -92.93 162.71 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.7 t30 -66.76 -61.16 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.2 t -34.58 -50.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.2 tp -78.31 -59.66 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -48.13 -29.45 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' ND2' ' OG ' ' A' ' 26' ' ' SER . 93.5 m-20 -86.76 -39.91 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 11.3 t60 -51.53 -35.76 41.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -56.3 -34.93 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -55.48 -35.54 65.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.1 pp -59.66 -26.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 44.7 m-70 -76.79 -32.03 57.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.2 p -77.49 -53.8 7.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -101.48 -177.61 28.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.518 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' GLY . 14.6 mm-40 36.95 30.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.952 0.406 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.9 OUTLIER -48.03 -58.54 7.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 173.71 10.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.26 . . . . 0.0 112.353 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.3 m -94.98 162.34 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.67 164.99 38.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 150.08 67.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.625 2.216 . . . . 0.0 112.331 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -72.28 166.29 22.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -128.39 164.06 23.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_